General Information of the Compound
| Compound ID |
CP0483475
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C32H24FN3O3
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| Molecular Weight |
517.56
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(O)cc1
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| InChI |
InChI=1S/C32H24FN3O3/c33-27-15-21(18-4-5-18)14-20-11-13-36(32(39)30(20)27)29-3-1-2-23(26(29)17-37)24-10-12-34-31-25(24)16-28(35-31)19-6-8-22(38)9-7-19/h1-3,6-16,18,37-38H,4-5,17H2,(H,34,35)
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| InChIKey |
NUBJNGLNIRWSPF-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