General Information of the Compound
| Compound ID |
CP0053416
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3,5-dimethyltetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentanecarboxamide
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| Structure |
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| Formula |
C25H34F6N2O2
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| Molecular Weight |
508.547
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1C(C)COCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H34F6N2O2/c1-14(2)23(6-5-20(10-23)33-21-15(3)12-35-13-16(21)4)22(34)32-11-17-7-18(24(26,27)28)9-19(8-17)25(29,30)31/h7-9,14-16,20-21,33H,5-6,10-13H2,1-4H3,(H,32,34)/t15?,16?,20-,21?,23+/m1/s1
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| InChIKey |
SWBZFFOHVHXOKJ-HHKFEHLDSA-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