VOLASERTIB ,755038-65-4 _Chemical Cloud Database

VOLASERTIB

Basic Information
Product Name：	VOLASERTIB
CAS：	755038-65-4
English Synonyms：	VOLASERTIB ; BENZAMIDE, N-[TRANS-4-[4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL]CYCLOHEXYL]-4-[[(7R)-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-8-(1-METHYLETHYL)-6-OXO-2-PTERIDINYL]AMINO]-3-METHOXY- ; VOLASERTIB (BI 6727) ; N-[TRANS-4-[4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL]CYCLOHEXYL]-4-[[(7R)-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-8-(1-METHYLETHYL)-6-OXO-2-PTERIDINYL] AMINO]-3-METHOXYBENZAMIDE
MDL Number.：	MFCD20926414
H bond acceptor：	11
H bond donor：	2
Smile：	CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)N[C@@H]4CC[C@H](CC4)N5CCN(CC5)CC6CC6)C
InChi：	InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
InChiKey：	InChIKey=SXNJFOWDRLKDSF-STROYTFGSA-N
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