General Information of the Compound
| Compound ID |
CP0519317
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| Compound Name |
9'-(6-fluoropyridin-3-yl)-2'-(methoxymethyl)-5'-methylspiro[cyclopropane-1,6'-pyrazolo[3,4-d][2]benzazepine]-4'-one
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| Structure |
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| Formula |
C21H19FN4O2
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| Molecular Weight |
378.407
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| Canonical SMILES |
COCn1cc-2c(n1)C(=O)N(C)C1(CC1)c1ccc(cc-21)-c1ccc(F)nc1
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| InChI |
InChI=1S/C21H19FN4O2/c1-25-20(27)19-16(11-26(24-19)12-28-2)15-9-13(14-4-6-18(22)23-10-14)3-5-17(15)21(25)7-8-21/h3-6,9-11H,7-8,12H2,1-2H3
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| InChIKey |
ZUMVAQQTFYFCPI-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