General Information of the Compound
| Compound ID |
CP0395825
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C27H29ClF6N2O
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| Molecular Weight |
546.983
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Cl)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H29ClF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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| InChIKey |
WUCFDYBBGRXJRM-KYPFDINASA-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