General Information of the Compound
| Compound ID |
CP0739794
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| Compound Name |
2-(1-hydroxy-4,5-dihydro-2H-benzo[e]indazol-2-yl)benzo[d]thiazole-6-carboxylic acid
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| Formula |
C19H13N3O3S
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| Molecular Weight |
363.398
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| Canonical SMILES |
O=C(O)c1ccc2nc(-n3nc4c(c3O)-c3ccccc3CC4)sc2c1
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| InChI |
InChI=1S/C19H13N3O3S/c23-17-16-12-4-2-1-3-10(12)5-8-14(16)21-22(17)19-20-13-7-6-11(18(24)25)9-15(13)26-19/h1-4,6-7,9,23H,5,8H2,(H,24,25)
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| InChIKey |
OFKOVQRGERBWJZ-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