General Information of the Compound
| Compound ID |
CP0513146
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| Compound Name |
(2S)-N-benzyl-2-(benzylsulfonylamino)-3-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
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| Structure |
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| Formula |
C31H39ClN4O3S
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| Molecular Weight |
583.198
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| Canonical SMILES |
CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)Cc2ccccc2)CC1
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| InChI |
InChI=1S/C31H39ClN4O3S/c1-34-19-21-35(22-20-34)17-8-18-36(24-27-9-4-2-5-10-27)31(37)30(23-26-13-15-29(32)16-14-26)33-40(38,39)25-28-11-6-3-7-12-28/h2-7,9-16,30,33H,8,17-25H2,1H3/t30-/m0/s1
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| InChIKey |
VOFSLZNLDJWDDV-PMERELPUSA-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