General Information of the Compound
| Compound ID |
CP0372467
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| Compound Name |
3-N-[(4S,5S,7R)-8-[(4-benzylpiperazin-1-yl)amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C39H53FN6O6S
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| Molecular Weight |
752.954
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C39H53FN6O6S/c1-26(2)20-35(36(47)21-27(3)37(48)43-46-18-16-45(17-19-46)25-29-10-8-7-9-11-29)42-39(50)32-22-31(23-34(24-32)44(5)53(6,51)52)38(49)41-28(4)30-12-14-33(40)15-13-30/h7-15,22-24,26-28,35-36,47H,16-21,25H2,1-6H3,(H,41,49)(H,42,50)(H,43,48)/t27-,28-,35+,36+/m1/s1
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| InChIKey |
UMKZPAWELBKBDK-SFSFMBGESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound