General Information of the Compound
| Compound ID |
CP0135959
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| Compound Name |
1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C29H35Cl2F3N4O2
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| Molecular Weight |
599.525
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
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| InChI |
InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1
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| InChIKey |
YXPCHDOWVWAKKP-AZGAKELHSA-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