General Information of the Compound
| Compound ID |
CP0016540
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| Compound Name |
1-Methyl-8-[(3-nitrophenyl)amino]-4,5-dihydro-1H-pyrazolo-[4,3-h]quinazoline-3-carboxamide
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| Structure |
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| Formula |
C17H15N7O3
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| Molecular Weight |
365.353
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| Canonical SMILES |
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c12
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| InChI |
InChI=1S/C17H15N7O3/c1-23-15-12(14(22-23)16(18)25)6-5-9-8-19-17(21-13(9)15)20-10-3-2-4-11(7-10)24(26)27/h2-4,7-8H,5-6H2,1H3,(H2,18,25)(H,19,20,21)
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| InChIKey |
PWURWOZBUAQZAZ-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