General Information of the Compound
| Compound ID |
CP0541616
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| Compound Name |
2-[4-[bis(cyclopropylmethyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C29H31N3O3
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| Molecular Weight |
469.585
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2cc(ccc2N(CC2CC2)CC2CC2)-c2ccccc2C(O)=O)cc1
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| InChI |
InChI=1S/C29H31N3O3/c1-19-6-13-23(14-7-19)30-29(35)31-26-16-22(24-4-2-3-5-25(24)28(33)34)12-15-27(26)32(17-20-8-9-20)18-21-10-11-21/h2-7,12-16,20-21H,8-11,17-18H2,1H3,(H,33,34)(H2,30,31,35)
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| InChIKey |
UJSYUVDJYGXNBF-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