General Information of the Compound
| Compound ID |
CP0026742
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| Compound Name |
methyl 2-[(3-carbamoyl-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazolin-8-yl)amino]benzoate
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| Structure |
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| Formula |
C19H18N6O3
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| Molecular Weight |
378.392
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| Canonical SMILES |
COC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
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| InChI |
InChI=1S/C19H18N6O3/c1-25-16-12(15(24-25)17(20)26)8-7-10-9-21-19(23-14(10)16)22-13-6-4-3-5-11(13)18(27)28-2/h3-6,9H,7-8H2,1-2H3,(H2,20,26)(H,21,22,23)
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| InChIKey |
IUMSYMLFJDPWFR-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