CHEBI:230487 - NVP-2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name NVP-2
ChEBI ID CHEBI:230487
Definition NVP-2 is a potent and selective ATP-competitive cyclin dependent kinase 9 (CDK9) probe. NVP-2 induces cell apoptosis.
Stars This entity has been manually annotated by a third party.
Submitter Delphine Zhou
Supplier Information
Download Molfile XML SDF
Formula C27H37ClN6O2
Net Charge 0
Average Mass 513.080
Monoisotopic Mass 512.26665
InChI InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1
InChIKey XWQVQSXLXAXOPJ-NJDAHSKKSA-N
SMILES ClC1=CN=C(N[C@H]2CC[C@H](N[C@H](C)COC)CC2)C=C1C3=CC=CC(NCC4(C#N)CCOCC4)=N3
ChEBI Ontology
Outgoing NVP-2 (CHEBI:230487) is a organic molecular entity (CHEBI:50860)
Registry Number Type Source
1263373-43-8 CAS Registry Number SUBMITTER