General Information of the Compound
| Compound ID |
CP0279539
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| Compound Name |
2-(3-(3-mesitylureido)-2-naphthamido)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C32H31N3O4
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| Molecular Weight |
521.617
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCc3ccccc3C2)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C32H31N3O4/c1-19-14-20(2)28(21(3)15-19)34-31(39)33-27-17-24-10-6-5-9-23(24)16-26(27)29(36)35-32(30(37)38)13-12-22-8-4-7-11-25(22)18-32/h4-11,14-17H,12-13,18H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)
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| InChIKey |
ZWWWJKRNSRHDLG-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