General Information of the Compound
| Compound ID |
CP0394884
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| Compound Name |
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
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| Structure |
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| Formula |
C32H41ClF3N3O2
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| Molecular Weight |
592.146
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| Canonical SMILES |
CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C32H41ClF3N3O2/c1-6-29(37-20(2)40)26-17-24(33)11-12-25(26)22-13-15-38(16-14-22)30(41)28-19-39(31(3,4)5)18-27(28)21-7-9-23(10-8-21)32(34,35)36/h7-12,17,22,27-29H,6,13-16,18-19H2,1-5H3,(H,37,40)/t27-,28+,29-/m0/s1
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| InChIKey |
PNFDTYPRKXTXAO-NHKHRBQYSA-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