General Information of the Compound
| Compound ID |
CP0374248
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| Compound Name |
2-(2-amino-3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-5-(3,5-difluorophenyl)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C23H20F3N5O4
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| Molecular Weight |
487.438
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| Canonical SMILES |
NC(Cc1nc(no1)-c1ccc(F)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O
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| InChI |
InChI=1S/C23H20F3N5O4/c24-13-2-4-19(28-10-13)21-30-20(35-31-21)9-17(27)22(32)29-18-3-1-11(7-16(18)23(33)34)12-5-14(25)8-15(26)6-12/h2,4-6,8,10-11,17H,1,3,7,9,27H2,(H,29,32)(H,33,34)
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| InChIKey |
HBYNOPHXXILWRU-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