General Information of the Compound
| Compound ID |
CP0375642
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| Compound Name |
N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C25H28N6O2
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| Molecular Weight |
444.539
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)N1CCCC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
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| InChI |
InChI=1S/C25H28N6O2/c1-17-13-18(9-10-19(17)14-26-25(33)30-11-5-6-12-30)24(32)31-16-20-15-27-29(2)23(20)28-21-7-3-4-8-22(21)31/h3-4,7-10,13,15,28H,5-6,11-12,14,16H2,1-2H3,(H,26,33)
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| InChIKey |
HEHDBTXQQZDKLF-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