General Information of the Compound
| Compound ID |
CP0397124
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| Compound Name |
(1S,3R)-3-[(4-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C27H31F6N3O
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| Molecular Weight |
527.553
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H31F6N3O/c1-15(2)25(9-8-19(13-25)36-23-7-6-20-21(23)4-3-5-22(20)34)24(37)35-14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h3-5,10-12,15,19,23,36H,6-9,13-14,34H2,1-2H3,(H,35,37)/t19-,23?,25+/m1/s1
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| InChIKey |
DOASFXOSSRUSLF-COXFATBWSA-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