General Information of the Compound
| Compound ID |
CP0393820
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| Compound Name |
2-chloro-N-[8-chloro-11-(4-ethyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-benzamide
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| Structure |
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| Formula |
C26H25Cl2N5O
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| Molecular Weight |
494.426
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| Canonical SMILES |
CCN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C26H25Cl2N5O/c1-2-31-13-15-32(16-14-31)25-20-8-4-6-10-23(20)33(24-12-11-18(27)17-22(24)29-25)30-26(34)19-7-3-5-9-21(19)28/h3-12,17H,2,13-16H2,1H3,(H,30,34)
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| InChIKey |
WXQFNASFTKDHTC-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