General Information of the Compound
| Compound ID |
CP0522305
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| Compound Name |
4-((S)-2-(benzyloxycarbonyl)-3-((S)-4-(4-(dimethylamino)benzoyl)-3-methylpiperazin-1-yl)-3-oxopropyl)phenyl 4-cyanobenzenesulfonate
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| Structure |
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| Formula |
C38H39N5O7S
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| Molecular Weight |
709.825
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc(cc1)N(C)C)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(cc2)C#N)cc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C38H39N5O7S/c1-27-25-42(21-22-43(27)36(44)31-13-15-32(16-14-31)41(2)3)37(45)35(40-38(46)49-26-30-7-5-4-6-8-30)23-28-9-17-33(18-10-28)50-51(47,48)34-19-11-29(24-39)12-20-34/h4-20,27,35H,21-23,25-26H2,1-3H3,(H,40,46)/t27-,35-/m0/s1
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| InChIKey |
WPBPZBFXKSSNCY-UXCMTWRGSA-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