General Information of the Compound
| Compound ID |
CP0519865
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| Compound Name |
1-{2-[(1S)-Amino-2-methylpropyl]-4-chlorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]-piperazine
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| Structure |
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| Formula |
C24H31Cl2N3O
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| Molecular Weight |
448.438
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| Canonical SMILES |
CC(C)[C@H](N)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H31Cl2N3O/c1-16(2)23(27)21-15-20(26)8-9-22(21)28-10-12-29(13-11-28)24(30)17(3)14-18-4-6-19(25)7-5-18/h4-9,15-17,23H,10-14,27H2,1-3H3/t17-,23+/m1/s1
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| InChIKey |
KFAFGGMHZZLQQM-HXOBKFHXSA-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