General Information of the Compound
| Compound ID |
CP0496713
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| Compound Name |
N-[8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C26H24ClN5O3
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| Molecular Weight |
489.963
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccc3OCOc3c2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H24ClN5O3/c1-30-10-12-31(13-11-30)25-19-15-18(27)7-8-21(19)32(22-5-3-2-4-20(22)28-25)29-26(33)17-6-9-23-24(14-17)35-16-34-23/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)
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| InChIKey |
PWZNZURJFBVUCP-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