General Information of the Compound
| Compound ID |
CP0554971
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| Compound Name |
(S)-((S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]dec-9-yl)-(2-trifluoromethyl-benzyl)-amine
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| Structure |
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| Formula |
C30H31F3N2
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| Molecular Weight |
476.586
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| Canonical SMILES |
FC(F)(F)c1ccccc1CNC1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H31F3N2/c31-30(32,33)26-14-8-7-13-22(26)19-34-28-23-17-24-15-16-25(18-23)35(24)29(28)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23-25,27-29,34H,15-19H2/t23?,24?,25?,28?,29-/m0/s1
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| InChIKey |
FCTGGFGGCAFKLE-YQOMSNACSA-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