General Information of the Compound
| Compound ID |
CP0537021
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| Compound Name |
N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)isoquinoline-1-carboxamide
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
CCCn1c(NC(=O)c2nccc3ccccc23)nc2cc(cc(OC)c12)C(N)=O
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| InChI |
InChI=1S/C22H21N5O3/c1-3-10-27-19-16(11-14(20(23)28)12-17(19)30-2)25-22(27)26-21(29)18-15-7-5-4-6-13(15)8-9-24-18/h4-9,11-12H,3,10H2,1-2H3,(H2,23,28)(H,25,26,29)
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| InChIKey |
BBZBUKVJZBXMHB-UHFFFAOYSA-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