General Information of the Compound
| Compound ID |
CP0503558
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| Compound Name |
3-N-[(4S,5S,7R)-8-[2-(1-benzylpiperidin-4-yl)ethylamino]-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 |
C42H58FN5O6S
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| Molecular Weight |
780.02
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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)NCCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C42H58FN5O6S/c1-28(2)22-38(39(49)23-29(3)40(50)44-19-16-31-17-20-48(21-18-31)27-32-10-8-7-9-11-32)46-42(52)35-24-34(25-37(26-35)47(5)55(6,53)54)41(51)45-30(4)33-12-14-36(43)15-13-33/h7-15,24-26,28-31,38-39,49H,16-23,27H2,1-6H3,(H,44,50)(H,45,51)(H,46,52)/t29-,30-,38+,39+/m1/s1
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| InChIKey |
CRKOTSRUMMTXGU-PHLYTOKQSA-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