General Information of the Compound
| Compound ID |
CP0374862
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| Compound Name |
(+-)-trans-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methanamine
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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 |
NC[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/c22-20(23,24)16-8-13(9-17(10-16)21(25,26)27)12-29-18-7-6-15(11-28)19(18)14-4-2-1-3-5-14/h1-5,8-10,15,18-19H,6-7,11-12,28H2/t15-,18-,19-/m0/s1
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| InChIKey |
STJZDPGWBPFLGF-SNRMKQJTSA-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