General Information of the Compound
| Compound ID |
CP0159403
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| Compound Name |
8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
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| Structure |
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| Formula |
C21H19FN4O2
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| Molecular Weight |
378.407
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| Canonical SMILES |
CN1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
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| InChI |
InChI=1S/C21H19FN4O2/c1-24-6-8-25(9-7-24)12-13-2-4-17-15(10-13)21(28)26-18-5-3-14(22)11-16(18)19(27)20(26)23-17/h2-5,10-11H,6-9,12H2,1H3
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| InChIKey |
GJCZYPVNSMSOLT-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