General Information of the Compound
| Compound ID |
CP0237993
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| Compound Name |
2-(4,4-difluorocyclohexyl)-2-(3-(3-mesitylureido)-2-naphthamido)acetic acid
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| Structure |
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| Formula |
C29H31F2N3O4
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| Molecular Weight |
523.58
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(F)(F)CC2)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C29H31F2N3O4/c1-16-12-17(2)24(18(3)13-16)34-28(38)32-23-15-21-7-5-4-6-20(21)14-22(23)26(35)33-25(27(36)37)19-8-10-29(30,31)11-9-19/h4-7,12-15,19,25H,8-11H2,1-3H3,(H,33,35)(H,36,37)(H2,32,34,38)
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| InChIKey |
KMJGFTATOAQJQV-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