General Information of the Compound
| Compound ID |
CP0517036
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| Compound Name |
2-[5-[(4-chlorophenyl)methyl]-4-(3-chloro-4-propan-2-yloxyanilino)-6-oxo-1,3,5-triazin-2-yl]acetic acid
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| Formula |
C21H20Cl2N4O4
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| Molecular Weight |
463.321
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(CC(O)=O)nc(=O)n2Cc2ccc(Cl)cc2)cc1Cl
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| InChI |
InChI=1S/C21H20Cl2N4O4/c1-12(2)31-17-8-7-15(9-16(17)23)24-20-25-18(10-19(28)29)26-21(30)27(20)11-13-3-5-14(22)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,28,29)(H,24,25,26,30)
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| InChIKey |
FTYJMCHKIWUNQN-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