General Information of the Compound
| Compound ID |
CP0333754
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| Compound Name |
(2S,3R)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)-3-hydroxybutanoic acid
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| Structure |
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| Formula |
C23H22ClN3O5
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| Molecular Weight |
455.898
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cccc1Cl)C(O)=O
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| InChI |
InChI=1S/C23H22ClN3O5/c1-12-6-5-9-17(24)19(12)27-23(32)25-18-11-15-8-4-3-7-14(15)10-16(18)21(29)26-20(13(2)28)22(30)31/h3-11,13,20,28H,1-2H3,(H,26,29)(H,30,31)(H2,25,27,32)/t13-,20+/m1/s1
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| InChIKey |
UESKWVOBZARMRA-XCLFUZPHSA-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