General Information of the Compound
| Compound ID |
CP0372950
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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]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C39H54N6O6S
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| Molecular Weight |
734.964
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)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/C39H54N6O6S/c1-27(2)21-35(36(46)22-28(3)37(47)42-45-19-17-44(18-20-45)26-30-13-9-7-10-14-30)41-39(49)33-23-32(24-34(25-33)43(5)52(6,50)51)38(48)40-29(4)31-15-11-8-12-16-31/h7-16,23-25,27-29,35-36,46H,17-22,26H2,1-6H3,(H,40,48)(H,41,49)(H,42,47)/t28-,29-,35+,36+/m1/s1
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| InChIKey |
RMYMCFQJBGHHRV-XSKHDXJTSA-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