General Information of the Compound
| Compound ID |
CP0387123
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| Compound Name |
methyl 2-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoylamino]acetate
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| Structure |
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| Formula |
C24H26N6O4
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| Molecular Weight |
462.51
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| Canonical SMILES |
COC(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
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| InChI |
InChI=1S/C24H26N6O4/c1-15-10-16(8-9-17(15)11-25-24(33)26-13-21(31)34-3)23(32)30-14-18-12-27-29(2)22(18)28-19-6-4-5-7-20(19)30/h4-10,12,28H,11,13-14H2,1-3H3,(H2,25,26,33)
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| InChIKey |
XOYDUGXEXIVUAJ-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