General Information of the Compound
| Compound ID |
CP0387543
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| Compound Name |
3-N-[(2S)-4-[(1-benzylpiperidin-4-yl)amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C40H47N5O6S
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| Molecular Weight |
725.912
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C40H47N5O6S/c1-28(31-17-11-6-12-18-31)41-38(47)32-24-33(26-35(25-32)44(2)52(3,50)51)39(48)43-36(23-29-13-7-4-8-14-29)37(46)40(49)42-34-19-21-45(22-20-34)27-30-15-9-5-10-16-30/h4-18,24-26,28,34,36-37,46H,19-23,27H2,1-3H3,(H,41,47)(H,42,49)(H,43,48)/t28-,36+,37?/m1/s1
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| InChIKey |
GKNDJCUXTFFUMH-PCSHBMLJSA-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