General Information of the Compound
| Compound ID |
CP0461993
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C29H34F6N2O3
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| Molecular Weight |
572.59
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| Canonical SMILES |
COc1ccc2C(CCc2c1OC)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/C29H34F6N2O3/c1-16(2)27(26(38)36-15-17-11-18(28(30,31)32)13-19(12-17)29(33,34)35)10-9-20(14-27)37-23-7-5-22-21(23)6-8-24(39-3)25(22)40-4/h6,8,11-13,16,20,23,37H,5,7,9-10,14-15H2,1-4H3,(H,36,38)/t20-,23?,27+/m1/s1
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| InChIKey |
GSBZMKJOQZFHPM-UKGJWRKASA-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