General Information of the Compound
| Compound ID |
CP0231765
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| Compound Name |
(1R,2R)-N-[5-(3-methoxyphenyl)isoquinolin-8-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C23H20N4O3
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| Molecular Weight |
400.438
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(NC(=O)[C@@H]2C[C@H]2c2nc(C)no2)c2cnccc12
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| InChI |
InChI=1S/C23H20N4O3/c1-13-25-23(30-27-13)19-11-18(19)22(28)26-21-7-6-16(17-8-9-24-12-20(17)21)14-4-3-5-15(10-14)29-2/h3-10,12,18-19H,11H2,1-2H3,(H,26,28)/t18-,19-/m1/s1
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| InChIKey |
PHXHRVNVCWJKBD-RTBURBONSA-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