General Information of the Compound
| Compound ID |
CP0490341
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| Compound Name |
(S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycarbonyl)-3-oxopropyl)-2,6-dimethylphenyl benzenesulfonate
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| Structure |
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| Formula |
C36H37N3O7S
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| Molecular Weight |
655.773
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| Canonical SMILES |
Cc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)cc(C)c1OS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C36H37N3O7S/c1-26-22-29(23-27(2)33(26)46-47(43,44)31-16-10-5-11-17-31)24-32(37-36(42)45-25-28-12-6-3-7-13-28)35(41)39-20-18-38(19-21-39)34(40)30-14-8-4-9-15-30/h3-17,22-23,32H,18-21,24-25H2,1-2H3,(H,37,42)/t32-/m0/s1
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| InChIKey |
YTFOPCGCEZSDBO-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