General Information of the Compound
| Compound ID |
CP0091057
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| Compound Name |
1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanecarboxylic acid
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| Structure |
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| Formula |
C29H33N3O4
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| Molecular Weight |
487.6
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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| InChIKey |
VAJWMCGTGCHONC-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