General Information of the Compound
| Compound ID |
CP0576174
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| Compound Name |
3-[3-[(4-chlorophenyl)methyl]-4-(3-chloro-4-propan-2-yloxyanilino)-2,6-dioxopyrimidin-1-yl]propanoic acid
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| Formula |
C23H23Cl2N3O5
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| Molecular Weight |
492.359
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2cc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
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| InChI |
InChI=1S/C23H23Cl2N3O5/c1-14(2)33-19-8-7-17(11-18(19)25)26-20-12-21(29)27(10-9-22(30)31)23(32)28(20)13-15-3-5-16(24)6-4-15/h3-8,11-12,14,26H,9-10,13H2,1-2H3,(H,30,31)
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| InChIKey |
HPNBQEPLOMTGNM-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