General Information of the Compound
| Compound ID |
CP0274957
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| Compound Name |
(S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)-3-cyclohexylpropanoic acid
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| Structure |
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| Formula |
C28H30ClN3O4
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| Molecular Weight |
508.018
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C28H30ClN3O4/c1-17-8-7-13-22(29)25(17)32-28(36)31-23-16-20-12-6-5-11-19(20)15-21(23)26(33)30-24(27(34)35)14-18-9-3-2-4-10-18/h5-8,11-13,15-16,18,24H,2-4,9-10,14H2,1H3,(H,30,33)(H,34,35)(H2,31,32,36)/t24-/m0/s1
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| InChIKey |
UEAKFJHZEFJNCU-DEOSSOPVSA-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