General Information of the Compound
| Compound ID |
CP0463238
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| Compound Name |
(S)-((S)-3-Benzhydryl-octahydro-2,5-methano-isoquinolin-4-yl)-(2-chloro-benzyl)-amine
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| Structure |
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| Formula |
C30H33ClN2
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| Molecular Weight |
457.061
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| Canonical SMILES |
Clc1ccccc1CNC1[C@H](C(c2ccccc2)c2ccccc2)N2CC3CCCC(C2)C13
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| InChI |
InChI=1S/C30H33ClN2/c31-26-17-8-7-14-23(26)18-32-29-27-24-15-9-16-25(27)20-33(19-24)30(29)28(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-14,17,24-25,27-30,32H,9,15-16,18-20H2/t24?,25?,27?,29?,30-/m0/s1
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| InChIKey |
KUZSVFNKNBWCDR-QCWLJUHMSA-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