General Information of the Compound
| Compound ID |
CP0522340
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| Compound Name |
(+/-)-cis-3-(3,5-bis(trifluoromethyl)benzyloxy)-N-methyl-2-phenylcyclopentanamine
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| Structure |
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| Formula |
C21H21F6NO
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| Molecular Weight |
417.393
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| Canonical SMILES |
CN[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C21H21F6NO/c1-28-17-7-8-18(19(17)14-5-3-2-4-6-14)29-12-13-9-15(20(22,23)24)11-16(10-13)21(25,26)27/h2-6,9-11,17-19,28H,7-8,12H2,1H3/t17-,18-,19+/m0/s1
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| InChIKey |
ATUPAULHDXBCOY-GBESFXJTSA-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