General Information of the Compound
| Compound ID |
CP0464709
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| Compound Name |
(5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone
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| Structure |
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| Formula |
C24H18F3N5O
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| Molecular Weight |
449.436
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29)
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| InChIKey |
FOMNYBUNFIUPHX-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