General Information of the Compound
| Compound ID |
CP0393818
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| Compound Name |
N-[8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-iodobenzamide
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| Structure |
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| Formula |
C25H23ClIN5O
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| Molecular Weight |
571.85
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccccc2I)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C25H23ClIN5O/c1-30-12-14-31(15-13-30)24-19-16-17(26)10-11-22(19)32(23-9-5-4-8-21(23)28-24)29-25(33)18-6-2-3-7-20(18)27/h2-11,16H,12-15H2,1H3,(H,29,33)
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| InChIKey |
LSBNVDGHJXSXAB-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor