General Information of the Compound
| Compound ID |
CP0091059
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| Compound Name |
1-(ethoxycarbonyl)-4-(3-(3-mesitylureido)-2-naphthamido)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C30H34N4O6
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| Molecular Weight |
546.624
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C30H34N4O6/c1-5-40-29(39)34-12-10-30(11-13-34,27(36)37)33-26(35)23-16-21-8-6-7-9-22(21)17-24(23)31-28(38)32-25-19(3)14-18(2)15-20(25)4/h6-9,14-17H,5,10-13H2,1-4H3,(H,33,35)(H,36,37)(H2,31,32,38)
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| InChIKey |
VHBBOCHQPJCAGP-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