General Information of the Compound
| Compound ID |
CP0424718
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| Compound Name |
[2-chloro-4-(1-methylpyrazol-3-yl)phenyl]-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
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| Structure |
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| Formula |
C23H18ClN5O
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| Molecular Weight |
415.884
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C23H18ClN5O/c1-28-12-10-19(27-28)15-8-9-17(18(24)13-15)23(30)29-14-16-5-4-11-25-22(16)26-20-6-2-3-7-21(20)29/h2-13H,14H2,1H3,(H,25,26)
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| InChIKey |
LLXMTMODFSWNAD-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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor