General Information of the Compound
| Compound ID |
CP0389822
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C28H32F6N2O2
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| Molecular Weight |
542.564
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2c(O)cccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H32F6N2O2/c1-16(2)26(10-9-20(14-26)36-23-7-3-6-22-21(23)5-4-8-24(22)37)25(38)35-15-17-11-18(27(29,30)31)13-19(12-17)28(32,33)34/h4-5,8,11-13,16,20,23,36-37H,3,6-7,9-10,14-15H2,1-2H3,(H,35,38)/t20-,23?,26+/m1/s1
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| InChIKey |
LWEWQRGMLFNAIT-MBPASQAPSA-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