General Information of the Compound
| Compound ID |
CP0495983
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| Compound Name |
3-(4-((1-(4-cyclohexylphenyl)-3-(3-nitrophenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C30H32N4O6
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| Molecular Weight |
544.608
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cccc(c2)[N+]([O-])=O)c2ccc(cc2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C30H32N4O6/c35-28(36)17-18-31-29(37)24-11-9-21(10-12-24)20-33(30(38)32-25-7-4-8-27(19-25)34(39)40)26-15-13-23(14-16-26)22-5-2-1-3-6-22/h4,7-16,19,22H,1-3,5-6,17-18,20H2,(H,31,37)(H,32,38)(H,35,36)
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| InChIKey |
BCBSZTWGAUGXNY-UHFFFAOYSA-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