General Information of the Compound
| Compound ID |
CP0409524
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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-carboxamide
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| Structure |
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| Formula |
C34H32FN5O3
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| Molecular Weight |
577.66
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| Canonical SMILES |
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C34H32FN5O3/c1-38(2)34(43)39-13-9-21(10-14-39)29-18-26-25(8-12-36-32(26)37-29)24-4-3-5-30(27(24)19-41)40-15-11-22-16-23(20-6-7-20)17-28(35)31(22)33(40)42/h3-5,8-9,11-12,15-18,20,41H,6-7,10,13-14,19H2,1-2H3,(H,36,37)
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| InChIKey |
KWUFJAABZPUKTF-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