General Information of the Compound
| Compound ID |
CP0053417
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(3-(trifluoromethyl)tetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
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| Structure |
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| Formula |
C24H29F9N2O2
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| Molecular Weight |
548.49
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C(F)(F)F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H29F9N2O2/c1-13(2)21(5-3-17(10-21)35-19-4-6-37-12-18(19)24(31,32)33)20(36)34-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,35H,3-6,10-12H2,1-2H3,(H,34,36)/t17-,18?,19?,21+/m1/s1
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| InChIKey |
WMVMUQCYXDEMDE-HZGZPEGRSA-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