General Information of the Compound
| Compound ID |
CP0658457
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| Compound Name |
(2R)-2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
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| Structure |
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| Formula |
C23H29FN4O4
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| Molecular Weight |
444.507
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| Canonical SMILES |
CCOc1cc(OC2CCN(C)CC2)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1
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| InChI |
InChI=1S/C23H29FN4O4/c1-3-31-17-12-18(20(24)19(13-17)32-16-8-10-28(2)11-9-16)21(23(29)30)27-15-6-4-14(5-7-15)22(25)26/h4-7,12-13,16,21,27H,3,8-11H2,1-2H3,(H3,25,26)(H,29,30)/t21-/m1/s1
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| InChIKey |
UJHGDHHSUXVKDH-OAQYLSRUSA-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