General Information of the Compound
| Compound ID |
CP0569155
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| Compound Name |
2-[4-[bis(2-methoxyethyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C27H31N3O5
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| Molecular Weight |
477.561
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| Canonical SMILES |
COCCN(CCOC)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C27H31N3O5/c1-19-8-11-21(12-9-19)28-27(33)29-24-18-20(22-6-4-5-7-23(22)26(31)32)10-13-25(24)30(14-16-34-2)15-17-35-3/h4-13,18H,14-17H2,1-3H3,(H,31,32)(H2,28,29,33)
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| InChIKey |
XQPGRPBKQHKLPG-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