General Information of the Compound
| Compound ID |
CP0449657
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C29H34F6N2O2
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| Molecular Weight |
556.591
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| Canonical SMILES |
COc1cccc2C(CCCc12)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H34F6N2O2/c1-17(2)27(26(38)36-16-18-12-19(28(30,31)32)14-20(13-18)29(33,34)35)11-10-21(15-27)37-24-8-4-7-23-22(24)6-5-9-25(23)39-3/h5-6,9,12-14,17,21,24,37H,4,7-8,10-11,15-16H2,1-3H3,(H,36,38)/t21-,24?,27+/m1/s1
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| InChIKey |
HGIIMDRTEYJJSV-XIAQZKNVSA-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