General Information of the Compound
| Compound ID |
CP0040696
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| Compound Name |
(S)-1-((S)-carboxy(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)methyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C26H25ClN4O6
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| Molecular Weight |
524.961
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](N1CCC[C@H]1C(O)=O)C(O)=O
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| InChI |
InChI=1S/C26H25ClN4O6/c1-14-6-4-9-18(27)21(14)29-26(37)28-19-13-16-8-3-2-7-15(16)12-17(19)23(32)30-22(25(35)36)31-11-5-10-20(31)24(33)34/h2-4,6-9,12-13,20,22H,5,10-11H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H2,28,29,37)/t20-,22-/m0/s1
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| InChIKey |
KOOWVEPCPSFSNF-UNMCSNQZSA-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