General Information of the Compound
| Compound ID |
CP0074821
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| Compound Name |
aminoisoquinoline, 16
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| Structure |
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| Formula |
C28H24N8S
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| Molecular Weight |
504.623
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| Canonical SMILES |
CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc4sc(C)nc4c3)nccc12
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| InChI |
InChI=1S/C28H24N8S/c1-16-6-8-20-19(10-12-31-27(20)35-18-7-9-24-23(13-18)34-17(2)37-24)26(16)36-28-21(5-4-11-30-28)22-14-25(29-3)33-15-32-22/h4-15H,1-3H3,(H,30,36)(H,31,35)(H,29,32,33)
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| InChIKey |
UPABYWZSQBEEII-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