General Information of the Compound
| Compound ID |
CP0388118
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| Compound Name |
(1S,3R)-3-(1,1-Dioxo-hexahydro-1lambda*6*-thiopyran-4-ylamino)-1-isopropyl-cyclopentanecarboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C23H30F6N2O3S
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| Molecular Weight |
528.559
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCS(=O)(=O)CC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H30F6N2O3S/c1-14(2)21(6-3-19(12-21)31-18-4-7-35(33,34)8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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| InChIKey |
IRLMWZLGLGZBTJ-CTNGQTDRSA-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