General Information of the Compound
| Compound ID |
CP0457273
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| Compound Name |
4-[4-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
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| Structure |
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| Formula |
C33H32FN5O4S
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| Molecular Weight |
613.715
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| Canonical SMILES |
CN(C)S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C33H32FN5O4S/c1-37(2)44(42,43)38-13-9-21(10-14-38)29-18-26-25(8-12-35-32(26)36-29)24-4-3-5-30(27(24)19-40)39-15-11-22-16-23(20-6-7-20)17-28(34)31(22)33(39)41/h3-5,8-9,11-12,15-18,20,40H,6-7,10,13-14,19H2,1-2H3,(H,35,36)
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| InChIKey |
QQWBCDDFYNUQKA-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