General Information of the Compound
| Compound ID |
CP0557845
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| Compound Name |
3-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C29H26ClFN4O3
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| Molecular Weight |
533.003
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| Canonical SMILES |
Fc1ccccc1C1=NC(CCC(=O)N2CCN(CC2)C(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C29H26ClFN4O3/c30-20-10-11-24-22(18-20)27(21-8-4-5-9-23(21)31)32-25(28(37)33-24)12-13-26(36)34-14-16-35(17-15-34)29(38)19-6-2-1-3-7-19/h1-11,18,25H,12-17H2,(H,33,37)
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| InChIKey |
PLWRBFNTYREQOV-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