General Information of the Compound
| Compound ID |
CP0480385
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C25H30ClN5O
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| Molecular Weight |
452.002
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)C2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C25H30ClN5O/c1-29-13-15-30(16-14-29)24-20-9-5-6-10-22(20)31(23-12-11-19(26)17-21(23)27-24)28-25(32)18-7-3-2-4-8-18/h5-6,9-12,17-18H,2-4,7-8,13-16H2,1H3,(H,28,32)
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| InChIKey |
KLNKJWNIWSXCQK-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