General Information of the Compound
| Compound ID |
CP0538644
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| Compound Name |
(1R,2R)-N-[[8-(3-methoxyphenyl)isoquinolin-5-yl]methyl]-2-phenylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C27H24N2O2
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| Molecular Weight |
408.501
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccncc12
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| InChI |
InChI=1S/C27H24N2O2/c1-31-21-9-5-8-19(14-21)22-11-10-20(23-12-13-28-17-26(22)23)16-29-27(30)25-15-24(25)18-6-3-2-4-7-18/h2-14,17,24-25H,15-16H2,1H3,(H,29,30)/t24-,25+/m0/s1
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| InChIKey |
MTCTXNJUDDUWQQ-LOSJGSFVSA-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