General Information of the Compound
| Compound ID |
CP0388120
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-cyclopropyltetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentanecarboxamide
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| Structure |
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| Formula |
C26H34F6N2O2
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| Molecular Weight |
520.558
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C1CC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H34F6N2O2/c1-15(2)24(7-5-20(12-24)34-22-6-8-36-14-21(22)17-3-4-17)23(35)33-13-16-9-18(25(27,28)29)11-19(10-16)26(30,31)32/h9-11,15,17,20-22,34H,3-8,12-14H2,1-2H3,(H,33,35)/t20-,21?,22?,24+/m1/s1
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| InChIKey |
UREWEIQWMRXCFY-BSYXDCGDSA-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