General Information of the Compound
| Compound ID |
CP0119832
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-((tetrahydro-2H-pyran-4-yl)methylamino)cyclopentanecarboxamide
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| Structure |
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| Formula |
C24H32F6N2O2
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| Molecular Weight |
494.52
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NCC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H32F6N2O2/c1-15(2)22(6-3-20(12-22)31-13-16-4-7-34-8-5-16)21(33)32-14-17-9-18(23(25,26)27)11-19(10-17)24(28,29)30/h9-11,15-16,20,31H,3-8,12-14H2,1-2H3,(H,32,33)/t20-,22+/m1/s1
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| InChIKey |
FWOAOVBHYIZBNZ-IRLDBZIGSA-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