General Information of the Compound
| Compound ID |
CP0506567
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| Compound Name |
(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine
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| Structure |
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| Formula |
C19H17F6N5O
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| Molecular Weight |
445.367
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| Canonical SMILES |
FC(F)(F)c1cc(COC[C@@H](NCc2nnn[nH]2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F6N5O/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)10-31-11-16(13-4-2-1-3-5-13)26-9-17-27-29-30-28-17/h1-8,16,26H,9-11H2,(H,27,28,29,30)/t16-/m1/s1
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| InChIKey |
XIKNVPWEBHTZJN-MRXNPFEDSA-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