General Information of the Compound
| Compound ID |
CP0234962
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| Compound Name |
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
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| Structure |
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| Formula |
C26H32Cl2F3N3O
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| Molecular Weight |
530.462
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C26H32Cl2F3N3O/c1-16(2)12-23(32)21-14-19(26(29,30)31)5-7-24(21)33-8-10-34(11-9-33)25(35)17(3)13-18-4-6-20(27)15-22(18)28/h4-7,14-17,23H,8-13,32H2,1-3H3/t17-,23+/m1/s1
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| InChIKey |
LHBCSPYLZWEXEG-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