General Information of the Compound
| Compound ID |
CP0579202
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| Compound Name |
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethanol;hydrochloride
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| Structure |
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| Formula |
C22H27Cl2F3N2O
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| Molecular Weight |
463.371
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| Canonical SMILES |
Cl.CCc1cc2CC(Cc2cc1CC)NC(CO)c1cc(Cl)c(N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H26ClF3N2O.ClH/c1-3-12-5-14-7-17(8-15(14)6-13(12)4-2)28-20(11-29)16-9-18(22(24,25)26)21(27)19(23)10-16;/h5-6,9-10,17,20,28-29H,3-4,7-8,11,27H2,1-2H3;1H
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| InChIKey |
NKUBBQDQVBWVLU-UHFFFAOYSA-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