General Information of the Compound
| Compound ID |
CP0912482
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| Compound Name |
SID103059960
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| Structure |
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| Formula |
C23H23Cl2N5O4
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| Molecular Weight |
504.374
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| Canonical SMILES |
COc1cc(NC(=O)N2CCc3nc(Nc4cc(Cl)cc(Cl)c4)ncc3C2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H23Cl2N5O4/c1-32-19-9-17(10-20(33-2)21(19)34-3)28-23(31)30-5-4-18-13(12-30)11-26-22(29-18)27-16-7-14(24)6-15(25)8-16/h6-11H,4-5,12H2,1-3H3,(H,28,31)(H,26,27,29)
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| InChIKey |
DTGNMQNMVIDMQI-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3