General Information of the Compound
| Compound ID |
CP0522890
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-piperidin-1-ylbenzamide
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| Structure |
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| Formula |
C30H33ClN6O
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| Molecular Weight |
529.088
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2N2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C30H33ClN6O/c1-34-17-19-36(20-18-34)29-23-9-3-6-12-27(23)37(28-14-13-22(31)21-25(28)32-29)33-30(38)24-10-4-5-11-26(24)35-15-7-2-8-16-35/h3-6,9-14,21H,2,7-8,15-20H2,1H3,(H,33,38)
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| InChIKey |
HQLVUJZOSDAHEZ-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