General Information of the Compound
| Compound ID |
CP0236329
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| Compound Name |
(S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-4,5-difluorobenzamido)-2-cyclohexylacetic acid
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| Structure |
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| Formula |
C23H24ClF2N3O4
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| Molecular Weight |
479.911
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc(F)c(F)cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C23H24ClF2N3O4/c1-12-6-5-9-15(24)19(12)29-23(33)27-18-11-17(26)16(25)10-14(18)21(30)28-20(22(31)32)13-7-3-2-4-8-13/h5-6,9-11,13,20H,2-4,7-8H2,1H3,(H,28,30)(H,31,32)(H2,27,29,33)/t20-/m0/s1
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| InChIKey |
SGTPMJVHBKQGNG-FQEVSTJZSA-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