General Information of the Compound
| Compound ID |
CP0137351
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| Compound Name |
4-fluoro-3-[[2-[(8-fluoro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzoic acid
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| Structure |
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| Formula |
C28H21F3N4O5
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| Molecular Weight |
550.493
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| Canonical SMILES |
Cn1nc(C(=O)N(CC(=O)Nc2cc(ccc2F)C(O)=O)Cc2cccc(F)c2)c2COc3ccc(F)cc3-c12
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| InChI |
InChI=1S/C28H21F3N4O5/c1-34-26-19-11-18(30)6-8-23(19)40-14-20(26)25(33-34)27(37)35(12-15-3-2-4-17(29)9-15)13-24(36)32-22-10-16(28(38)39)5-7-21(22)31/h2-11H,12-14H2,1H3,(H,32,36)(H,38,39)
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| InChIKey |
OPRMEVNZUUBRSK-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