General Information of the Compound
| Compound ID |
CP0422271
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| Compound Name |
(S)-((S)-3-Benzhydryl-octahydro-2,5-methano-isoquinolin-4-yl)-benzyl-amine
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| Structure |
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| Formula |
C30H34N2
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| Molecular Weight |
422.616
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| Canonical SMILES |
C(NC1C2C3CCCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H34N2/c1-4-11-22(12-5-1)19-31-29-27-25-17-10-18-26(27)21-32(20-25)30(29)28(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25-31H,10,17-21H2/t25?,26?,27?,29?,30-/m0/s1
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| InChIKey |
FYFPUCQHJNRILA-QDRCGZQASA-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