General Information of the Compound
| Compound ID |
CP0498192
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| Compound Name |
N-[3,8-dichloro-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 |
C26H23Cl2N5O3
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| Molecular Weight |
524.408
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc3OCOc3c2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H23Cl2N5O3/c1-31-8-10-32(11-9-31)25-19-13-17(27)3-5-21(19)33(22-6-4-18(28)14-20(22)29-25)30-26(34)16-2-7-23-24(12-16)36-15-35-23/h2-7,12-14H,8-11,15H2,1H3,(H,30,34)
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| InChIKey |
XHOOSVMDRHVDTE-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