General Information of the Compound
| Compound ID |
CP0027123
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| Compound Name |
8-{[2-Acetyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
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| Structure |
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| Formula |
C24H28N8O2
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| Molecular Weight |
460.542
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c(c1)C(C)=O
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| InChI |
InChI=1S/C24H28N8O2/c1-14(33)18-12-16(32-10-8-30(2)9-11-32)5-7-19(18)27-24-26-13-15-4-6-17-21(23(25)34)29-31(3)22(17)20(15)28-24/h5,7,12-13H,4,6,8-11H2,1-3H3,(H2,25,34)(H,26,27,28)
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| InChIKey |
BNGFMEOSJHFCLA-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