General Information of the Compound
| Compound ID |
CP0515794
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-(cyclohexylamino)benzamide
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| Structure |
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| Formula |
C31H35ClN6O
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| Molecular Weight |
543.115
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2NC2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C31H35ClN6O/c1-36-17-19-37(20-18-36)30-25-12-6-8-14-28(25)38(29-16-15-22(32)21-27(29)34-30)35-31(39)24-11-5-7-13-26(24)33-23-9-3-2-4-10-23/h5-8,11-16,21,23,33H,2-4,9-10,17-20H2,1H3,(H,35,39)
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| InChIKey |
UBVIOCBVSSEHAS-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