General Information of the Compound
| Compound ID |
CP0067768
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| Compound Name |
7-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
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| Structure |
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| Formula |
C19H20N4O3S
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| Molecular Weight |
384.461
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| Canonical SMILES |
CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
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| InChI |
InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22)
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| InChIKey |
HXZURUMJDIMZJI-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