General Information of the Compound
| Compound ID |
CP0245087
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| Compound Name |
(S)-2-cyclohexyl-2-(2-(3-(2,6-dichlorophenyl)ureido)-2-naphthamido)acetic acid
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| Structure |
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| Formula |
C26H25Cl2N3O4
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| Molecular Weight |
514.409
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| Canonical SMILES |
OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1
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| InChI |
InChI=1S/C26H25Cl2N3O4/c27-19-11-6-12-20(28)23(19)31-26(35)29-21-14-17-10-5-4-9-16(17)13-18(21)24(32)30-22(25(33)34)15-7-2-1-3-8-15/h4-6,9-15,22H,1-3,7-8H2,(H,30,32)(H,33,34)(H2,29,31,35)/t22-/m0/s1
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| InChIKey |
SYEKIFOUPHJXCG-QFIPXVFZSA-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