General Information of the Compound
| Compound ID |
CP0437393
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| Compound Name |
(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-[(1-methyltetrazol-5-yl)methyl]-1-phenylethanamine
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| Structure |
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| Formula |
C20H19F6N5O
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| Molecular Weight |
459.394
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| Canonical SMILES |
Cn1nnnc1CN[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C20H19F6N5O/c1-31-18(28-29-30-31)10-27-17(14-5-3-2-4-6-14)12-32-11-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9,17,27H,10-12H2,1H3/t17-/m1/s1
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| InChIKey |
BYXVSYHZQWOKSI-QGZVFWFLSA-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