General Information of the Compound
| Compound ID |
CP0236331
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| Compound Name |
(S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)-3-(4-hydroxyphenyl)propanoic acid
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| Structure |
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| Formula |
C28H24ClN3O5
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| Molecular Weight |
517.969
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
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| InChI |
InChI=1S/C28H24ClN3O5/c1-16-5-4-8-22(29)25(16)32-28(37)31-23-15-19-7-3-2-6-18(19)14-21(23)26(34)30-24(27(35)36)13-17-9-11-20(33)12-10-17/h2-12,14-15,24,33H,13H2,1H3,(H,30,34)(H,35,36)(H2,31,32,37)/t24-/m0/s1
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| InChIKey |
QSKRPMWQJMNPFM-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