General Information of the Compound
| Compound ID |
CP0558265
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| Compound Name |
3-(3-chlorophenoxy)-10-(2-methylpyridin-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine
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| Formula |
C22H17ClN4O2
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| Molecular Weight |
404.857
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| Canonical SMILES |
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(Cl)c4)nnc3-c2c1
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| InChI |
InChI=1S/C22H17ClN4O2/c1-14-11-16(7-8-24-14)15-5-6-20-19(12-15)21-25-26-22(27(21)9-10-28-20)29-18-4-2-3-17(23)13-18/h2-8,11-13H,9-10H2,1H3
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| InChIKey |
YVTPUKBAWIKEMR-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT06102, Probable G-protein coupled receptor 142