General Information of the Compound
| Compound ID |
CP0401325
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| Compound Name |
(2S)-2-cyclohexyl-2-[(2-{[(4-ethyl-2,6-dimethylphenyl)carbamoyl]amino}-4-fluorophenyl)formamido]acetic acid
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| Structure |
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| Formula |
C26H32FN3O4
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| Molecular Weight |
469.557
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| Canonical SMILES |
CCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C26H32FN3O4/c1-4-17-12-15(2)22(16(3)13-17)30-26(34)28-21-14-19(27)10-11-20(21)24(31)29-23(25(32)33)18-8-6-5-7-9-18/h10-14,18,23H,4-9H2,1-3H3,(H,29,31)(H,32,33)(H2,28,30,34)/t23-/m0/s1
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| InChIKey |
WHMNOQMNAGTIDC-QHCPKHFHSA-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