General Information of the Compound
| Compound ID |
CP0351859
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| Compound Name |
(S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycarbonyl)-3-oxopropyl)phenyl 4-nitrobenzenesulfonate
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| Structure |
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| Formula |
C34H32N4O9S
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| Molecular Weight |
672.716
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| Canonical SMILES |
[O-][N+](=O)c1ccc(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/C34H32N4O9S/c39-32(27-9-5-2-6-10-27)36-19-21-37(22-20-36)33(40)31(35-34(41)46-24-26-7-3-1-4-8-26)23-25-11-15-29(16-12-25)47-48(44,45)30-17-13-28(14-18-30)38(42)43/h1-18,31H,19-24H2,(H,35,41)/t31-/m0/s1
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| InChIKey |
LQRSZKOXQWYBGF-HKBQPEDESA-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