Ketcher 09261912452D 1 1.00000 0.00000 0 34 33 0 0 0 999 V2000 20.9113 -25.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9113 -24.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7772 -24.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6433 -24.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5093 -24.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3753 -24.8920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.2429 -24.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3782 -25.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2412 -23.3919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3752 -22.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3752 -21.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1072 -22.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5091 -23.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5091 -21.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2412 -21.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1072 -21.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6431 -21.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6431 -22.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2412 -20.3919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7770 -21.3920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1791 -22.8923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9111 -22.8921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0452 -23.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0449 -21.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1789 -21.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 -21.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0452 -24.3921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3128 -21.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9732 -23.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1080 -24.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2451 -26.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9759 -20.0119 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 21.9517 -20.0601 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 23.7228 -20.0601 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 6 1 0 0 0 10 9 2 0 0 0 12 9 1 0 0 0 11 10 1 0 0 0 13 10 1 0 0 0 14 11 1 0 0 0 15 11 2 0 0 0 16 12 2 0 0 0 29 12 1 0 0 0 18 13 2 0 0 0 17 14 2 0 0 0 16 15 1 0 0 0 19 15 1 0 0 0 18 17 1 0 0 0 20 17 1 0 0 0 26 20 1 0 0 0 23 21 2 0 0 0 25 21 1 0 0 0 23 22 1 0 0 0 26 22 2 0 0 0 27 23 1 0 0 0 25 24 2 0 0 0 26 24 1 0 0 0 28 25 1 0 0 0 2 27 1 0 0 0 7 30 1 0 0 0 8 31 1 0 0 0 M END > CHEBI:144949 > NSC 23766 trihydrochloride > A hydrochloride resulting from the formal reaction of NSC 23766 with 3 mol eq. of hydrogen chloride. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1). > 3 > NSC23766.3HCl; NSC-23766.3HCl; NSC 23766.3HCl > N(6)-(2-{[5-(diethylamino)pentan-2-yl]amino}-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine trihydrochloride > C24H35N7.ClH.ClH.ClH > 530.970 > 529.22543 > 0 > CC(CCCN(CC)CC)NC1=NC(=CC(NC2=CC=3C(=NC(=CC3N)C)C=C2)=N1)C.Cl.Cl.Cl > InChI=1S/C24H35N7.3ClH/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22;;;/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30);3*1H > CPUHORIUXPQCHW-UHFFFAOYSA-N > 1177865-17-6 $$$$