General Information of the Compound
| Compound ID |
CP0547836
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| Compound Name |
2-[5-fluoro-3-[[1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-6-oxopyridazin-3-yl]methyl]-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H26FN3O4
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| Molecular Weight |
463.509
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(Cc3ccc(cc3)C(C)(C)O)n2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C26H26FN3O4/c1-16-21(22-12-19(27)8-10-23(22)29(16)15-25(32)33)13-20-9-11-24(31)30(28-20)14-17-4-6-18(7-5-17)26(2,3)34/h4-12,34H,13-15H2,1-3H3,(H,32,33)
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| InChIKey |
FCVZIFQYQJBRKV-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