General Information of the Compound
Compound ID |
CP0381163
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Compound Name |
5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine
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Structure |
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Formula |
C22H19ClN6O
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Molecular Weight |
418.888
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Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
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InChI |
InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
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InChIKey |
MJHMGTYNRCLWJK-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor