General Information of the Compound
| Compound ID |
CP0575064
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| Compound Name |
(S)-1-(2-cyclopropyl-4-(2-(difluoromethyl)pyridin-4-yl)phenoxy)-2,4-dimethylpentan-2-amine
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| Structure |
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| Formula |
C22H28F2N2O
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| Molecular Weight |
374.475
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| Canonical SMILES |
CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc(c1)C(F)F
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| InChI |
InChI=1S/C22H28F2N2O/c1-14(2)12-22(3,25)13-27-20-7-6-16(10-18(20)15-4-5-15)17-8-9-26-19(11-17)21(23)24/h6-11,14-15,21H,4-5,12-13,25H2,1-3H3/t22-/m0/s1
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| InChIKey |
YUEONCDQDNXPAO-QFIPXVFZSA-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