General Information of the Compound
| Compound ID |
CP0282451
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cyclobutylamino)-1-isopropylcyclopentanecarboxamide
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| Structure |
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| Formula |
C22H28F6N2O
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| Molecular Weight |
450.467
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H28F6N2O/c1-13(2)20(7-6-18(11-20)30-17-4-3-5-17)19(31)29-12-14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h8-10,13,17-18,30H,3-7,11-12H2,1-2H3,(H,29,31)/t18-,20+/m1/s1
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| InChIKey |
MNQVTPQZNBDJEU-QUCCMNQESA-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