General Information of the Compound
| Compound ID |
CP0507939
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| Compound Name |
(2S)-2-amino-N-benzyl-3-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
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| Structure |
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| Formula |
C24H33ClN4O
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| Molecular Weight |
429.008
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| Canonical SMILES |
CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@@H](N)Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C24H33ClN4O/c1-27-14-16-28(17-15-27)12-5-13-29(19-21-6-3-2-4-7-21)24(30)23(26)18-20-8-10-22(25)11-9-20/h2-4,6-11,23H,5,12-19,26H2,1H3/t23-/m0/s1
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| InChIKey |
UEYLICFJAMXPJL-QHCPKHFHSA-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