General Information of the Compound
| Compound ID |
CP0416918
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| Compound Name |
2-[3-[2-[1-(cyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
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| Structure |
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| Formula |
C35H31FN4O3
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| Molecular Weight |
574.656
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C1CC1
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| InChI |
InChI=1S/C35H31FN4O3/c36-29-17-24(20-4-5-20)16-23-11-15-40(35(43)32(23)29)31-3-1-2-25(28(31)19-41)26-8-12-37-33-27(26)18-30(38-33)21-9-13-39(14-10-21)34(42)22-6-7-22/h1-3,8-9,11-12,15-18,20,22,41H,4-7,10,13-14,19H2,(H,37,38)
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| InChIKey |
IFBMAPNKBSZGIW-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