General Information of the Compound
| Compound ID |
CP0410990
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| Compound Name |
N,N-dimethyl-2-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoylamino]acetamide
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| Structure |
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| Formula |
C25H29N7O3
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| Molecular Weight |
475.553
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| Canonical SMILES |
CN(C)C(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
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| InChI |
InChI=1S/C25H29N7O3/c1-16-11-17(9-10-18(16)12-26-25(35)27-14-22(33)30(2)3)24(34)32-15-19-13-28-31(4)23(19)29-20-7-5-6-8-21(20)32/h5-11,13,29H,12,14-15H2,1-4H3,(H2,26,27,35)
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| InChIKey |
NFSHIEFKZIGMCW-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