General Information of the Compound
| Compound ID |
CP0526266
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C32H29FN4O4S
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| Molecular Weight |
584.673
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| Canonical SMILES |
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C32H29FN4O4S/c1-42(40,41)36-12-8-20(9-13-36)28-17-25-24(7-11-34-31(25)35-28)23-3-2-4-29(26(23)18-38)37-14-10-21-15-22(19-5-6-19)16-27(33)30(21)32(37)39/h2-4,7-8,10-11,14-17,19,38H,5-6,9,12-13,18H2,1H3,(H,34,35)
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| InChIKey |
ZJPJSJGFBMRUFV-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