General Information of the Compound
| Compound ID |
CP0402270
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| Compound Name |
5-benzyl-3-fluoro-8-[4-(4-methylpiperazin-1-yl)phenoxy]-11H-benzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C31H29FN4O2
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| Molecular Weight |
508.597
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1
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| InChI |
InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3
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| InChIKey |
ZPNTXOKOIHPCLI-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
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay