General Information of the Compound
| Compound ID |
CP0074827
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| Compound Name |
aminoisoquinoline, 13
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| Structure |
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| Formula |
C26H22ClN7
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| Molecular Weight |
467.964
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| Canonical SMILES |
CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
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| InChI |
InChI=1S/C26H22ClN7/c1-16-5-10-20-19(11-13-30-25(20)33-18-8-6-17(27)7-9-18)24(16)34-26-21(4-3-12-29-26)22-14-23(28-2)32-15-31-22/h3-15H,1-2H3,(H,29,34)(H,30,33)(H,28,31,32)
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| InChIKey |
QLKGZBYGKCVLEX-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