General Information of the Compound
| Compound ID |
CP0018580
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| Compound Name |
8-{[2-(Acetylamino)phenyl]amino}-1-methyl-4,5-dihydro-1Hpyrazolo[4,3-h]quinazoline-3-carboxamide
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| Structure |
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| Formula |
C19H19N7O2
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| Molecular Weight |
377.408
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| Canonical SMILES |
CC(=O)Nc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
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| InChI |
InChI=1S/C19H19N7O2/c1-10(27)22-13-5-3-4-6-14(13)23-19-21-9-11-7-8-12-16(18(20)28)25-26(2)17(12)15(11)24-19/h3-6,9H,7-8H2,1-2H3,(H2,20,28)(H,22,27)(H,21,23,24)
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| InChIKey |
KNXOPPMRMUDBIP-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