General Information of the Compound
| Compound ID |
CP0219679
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| Compound Name |
(S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)benzamido)-2-cyclohexylacetic acid
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| Structure |
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| Formula |
C23H26ClN3O4
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| Molecular Weight |
443.931
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1ccccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C23H26ClN3O4/c1-14-8-7-12-17(24)19(14)27-23(31)25-18-13-6-5-11-16(18)21(28)26-20(22(29)30)15-9-3-2-4-10-15/h5-8,11-13,15,20H,2-4,9-10H2,1H3,(H,26,28)(H,29,30)(H2,25,27,31)/t20-/m0/s1
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| InChIKey |
NLAGXJFULIZSCV-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