General Information of the Compound
Compound ID |
CP0880169
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Compound Name |
(4bR,6aS,9aR)-2-Methoxy-8-methyl-5,6,6a,7,8,9,10,11-octahydro-4bH-benz[4,5]indeno[1,7a-c]pyrrole
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Structure |
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Formula |
C17H23NO
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Molecular Weight |
257.377
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Canonical SMILES |
COc1ccc2c(c1)CC[C@]13CN(C)C[C@H]1CC[C@H]23
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InChI |
InChI=1S/C17H23NO/c1-18-10-13-3-6-16-15-5-4-14(19-2)9-12(15)7-8-17(13,16)11-18/h4-5,9,13,16H,3,6-8,10-11H2,1-2H3/t13-,16-,17+/m1/s1
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InChIKey |
JYKIJLKCUNQHFV-XYPHTWIQSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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