General Information of the Compound
| Compound ID |
CP0501714
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| Compound Name |
(S)-4-(2-(benzyloxycarbonyl)-3-(4-(4-(dimethylamino)benzoyl)piperazin-1-yl)-3-oxopropyl)phenyl 4-methylbenzenesulfonate
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| Structure |
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| Formula |
C37H40N4O7S
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| Molecular Weight |
684.815
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C37H40N4O7S/c1-27-9-19-33(20-10-27)49(45,46)48-32-17-11-28(12-18-32)25-34(38-37(44)47-26-29-7-5-4-6-8-29)36(43)41-23-21-40(22-24-41)35(42)30-13-15-31(16-14-30)39(2)3/h4-20,34H,21-26H2,1-3H3,(H,38,44)/t34-/m0/s1
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| InChIKey |
CZGZKKHZQCOYBP-UMSFTDKQSA-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