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PNT : Summary
Code
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PNT
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One-letter code
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X
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Molecule name
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1,5-BIS(4-AMIDINOPHENOXY)PENTANE
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Systematic names
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Formula
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C19 H24 N4 O2
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Formal charge
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0
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Molecular weight
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340.419 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2 |
SMILES
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CACTVS |
3.341 |
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N |
Canonical SMILES
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CACTVS |
3.341 |
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N |
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IUPAC InChI | InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) |
IUPAC InChI key | XDRYMKDFEDOLFX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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49 (25 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAD
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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