General Information of the Compound
| Compound ID |
CP0525931
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| Compound Name |
(S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycarbonyl)-3-oxopropyl)phenyl 4-methylbenzenesulfonate
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| Structure |
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| Formula |
C35H35N3O7S
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| Molecular Weight |
641.746
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C35H35N3O7S/c1-26-12-18-31(19-13-26)46(42,43)45-30-16-14-27(15-17-30)24-32(36-35(41)44-25-28-8-4-2-5-9-28)34(40)38-22-20-37(21-23-38)33(39)29-10-6-3-7-11-29/h2-19,32H,20-25H2,1H3,(H,36,41)/t32-/m0/s1
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| InChIKey |
XMTBQLRXCPOAJN-YTTGMZPUSA-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