General Information of the Compound
| Compound ID |
CP0402271
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| Compound Name |
5-benzyl-3-fluoro-8-(4-piperazin-1-ylphenoxy)-11H-benzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C30H27FN4O2
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| Molecular Weight |
494.57
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| Canonical SMILES |
Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1
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| InChI |
InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2
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| InChIKey |
YJABCMLNSSTCHS-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