General Information of the Compound
| Compound ID |
CP0404369
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cyclopentane-1-carboxamide
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| Structure |
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| Formula |
C28H32F6N2O
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| Molecular Weight |
526.565
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H32F6N2O/c1-17(2)26(11-10-22(15-26)36-24-9-5-7-19-6-3-4-8-23(19)24)25(37)35-16-18-12-20(27(29,30)31)14-21(13-18)28(32,33)34/h3-4,6,8,12-14,17,22,24,36H,5,7,9-11,15-16H2,1-2H3,(H,35,37)/t22-,24?,26+/m1/s1
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| InChIKey |
UGBQKYVMRZGCSO-OVQDZVAUSA-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