General Information of the Compound
| Compound ID |
CP0464913
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| Compound Name |
(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
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| Structure |
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| Formula |
C30H40ClF3N4O
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| Molecular Weight |
565.124
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
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| InChI |
InChI=1S/C30H40ClF3N4O/c1-19(2)15-27(35)24-16-22(30(32,33)34)7-10-28(24)36-11-13-37(14-12-36)29(39)26-18-38(20(3)4)17-25(26)21-5-8-23(31)9-6-21/h5-10,16,19-20,25-27H,11-15,17-18,35H2,1-4H3/t25-,26+,27-/m0/s1
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| InChIKey |
MWOKFIWZFMODNQ-VJGNERBWSA-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