General Information of the Compound
| Compound ID |
CP0464583
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| Compound Name |
N-[3,8-dichloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2,6-dimethoxybenzamide
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| Structure |
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| Formula |
C27H27Cl2N5O3
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| Molecular Weight |
540.451
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| Canonical SMILES |
COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C27H27Cl2N5O3/c1-32-11-13-33(14-12-32)26-19-15-17(28)7-9-21(19)34(22-10-8-18(29)16-20(22)30-26)31-27(35)25-23(36-2)5-4-6-24(25)37-3/h4-10,15-16H,11-14H2,1-3H3,(H,31,35)
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| InChIKey |
QGFMLINRMXISAI-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