General Information of the Compound
| Compound ID |
CP0541610
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| Compound Name |
2-[4-[cyclohexyl(methyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C28H31N3O3/c1-19-12-15-21(16-13-19)29-28(34)30-25-18-20(23-10-6-7-11-24(23)27(32)33)14-17-26(25)31(2)22-8-4-3-5-9-22/h6-7,10-18,22H,3-5,8-9H2,1-2H3,(H,32,33)(H2,29,30,34)
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| InChIKey |
QYUQUPONYWVNRL-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