General Information of the Compound
| Compound ID |
CP0517468
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| Compound Name |
N-(isoquinolin-6-ylmethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
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| Structure |
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| Formula |
C22H22N6O
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| Molecular Weight |
386.459
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc2cnccc2c1)c1cccc(c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C22H22N6O/c1-2-3-7-21(29)28(15-16-8-9-19-14-23-11-10-17(19)12-16)20-6-4-5-18(13-20)22-24-26-27-25-22/h4-6,8-14H,2-3,7,15H2,1H3,(H,24,25,26,27)
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| InChIKey |
XJXCHKBSUQGDFB-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