General Information of the Compound
| Compound ID |
CP0542094
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| Compound Name |
CHEMBL4638973
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| Formula |
C26H28Cl2N4O4
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| Molecular Weight |
531.44
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CNC(C)=O)CC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C26H28Cl2N4O4/c1-3-36-26(35)18-13-30-22-9-8-21(16-10-19(27)25(34)20(28)11-16)32-24(22)23(18)31-17-6-4-15(5-7-17)12-29-14(2)33/h8-11,13,15,17,34H,3-7,12H2,1-2H3,(H,29,33)(H,30,31)/t15-,17-
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| InChIKey |
ZOVDCHIPKPUNRE-JCNLHEQBSA-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