General Information of the Compound
| Compound ID |
CP0245086
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| Compound Name |
(S)-2-cyclohexyl-2-(2-(3-(2,6-dimethylphenyl)ureido)-2-naphthamido)acetic acid
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| Structure |
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| Formula |
C28H31N3O4
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| Molecular Weight |
473.573
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C28H31N3O4/c1-17-9-8-10-18(2)24(17)31-28(35)29-23-16-21-14-7-6-13-20(21)15-22(23)26(32)30-25(27(33)34)19-11-4-3-5-12-19/h6-10,13-16,19,25H,3-5,11-12H2,1-2H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
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| InChIKey |
LPGOCWBNYPXSCE-VWLOTQADSA-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