General Information of the Compound
| Compound ID |
CP0390163
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| Compound Name |
1-Methyl-5-[3-methyl-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1,4,5,10-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine
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| Structure |
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| Formula |
C23H22N6O
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| Molecular Weight |
398.47
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
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| InChI |
InChI=1S/C23H22N6O/c1-15-12-17(8-9-20(15)29-11-10-16(2)26-29)23(30)28-14-18-13-24-27(3)22(18)25-19-6-4-5-7-21(19)28/h4-13,25H,14H2,1-3H3
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| InChIKey |
HUJUWOZUJZKBDW-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor