General Information of the Compound
| Compound ID |
CP0371965
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| Compound Name |
6,7-dimethoxy-2-[(3E)-3-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
COc1ccc2CCC\C(=C/CCN3CCc4cc(OC)c(OC)cc4C3)c2c1
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| InChI |
InChI=1S/C25H31NO3/c1-27-22-10-9-19-7-4-6-18(23(19)16-22)8-5-12-26-13-11-20-14-24(28-2)25(29-3)15-21(20)17-26/h8-10,14-16H,4-7,11-13,17H2,1-3H3/b18-8+
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| InChIKey |
IQMBOMLUAIPKTA-QGMBQPNBSA-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