General Information of the Compound
| Compound ID |
CP0355370
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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]ethylamino]benzoic acid
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| Structure |
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| Formula |
C28H23F3N4O4
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| Molecular Weight |
536.51
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| Canonical SMILES |
Cn1nc(C(=O)N(CCNc2cc(ccc2F)C(O)=O)Cc2cccc(F)c2)c2COc3ccc(F)cc3-c12
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| InChI |
InChI=1S/C28H23F3N4O4/c1-34-26-20-13-19(30)6-8-24(20)39-15-21(26)25(33-34)27(36)35(14-16-3-2-4-18(29)11-16)10-9-32-23-12-17(28(37)38)5-7-22(23)31/h2-8,11-13,32H,9-10,14-15H2,1H3,(H,37,38)
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| InChIKey |
YMOMNUUERLHSSV-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