General Information of the Compound
| Compound ID |
CP0449762
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-cyano-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C28H29F6N3O
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| Molecular Weight |
537.548
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H29F6N3O/c1-16(2)26(9-8-21(13-26)37-24-7-6-22-18(14-35)4-3-5-23(22)24)25(38)36-15-17-10-19(27(29,30)31)12-20(11-17)28(32,33)34/h3-5,10-12,16,21,24,37H,6-9,13,15H2,1-2H3,(H,36,38)/t21-,24?,26+/m1/s1
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| InChIKey |
GGUDFKQMOQUPBS-FNFJCYJNSA-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