General Information of the Compound
| Compound ID |
CP0541720
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-imidazol-1-ylbenzamide
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| Structure |
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| Formula |
C28H26ClN7O
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| Molecular Weight |
512.017
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2-n2ccnc2)c2ccccc12
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| InChI |
InChI=1S/C28H26ClN7O/c1-33-14-16-34(17-15-33)27-21-6-2-5-9-25(21)36(26-11-10-20(29)18-23(26)31-27)32-28(37)22-7-3-4-8-24(22)35-13-12-30-19-35/h2-13,18-19H,14-17H2,1H3,(H,32,37)
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| InChIKey |
SRQDVOBYDYOTOQ-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