General Information of the Compound
| Compound ID |
CP0541905
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| Compound Name |
CHEMBL491239
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| Formula |
C22H19ClN2O4
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| Molecular Weight |
410.857
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| Canonical SMILES |
COC(=O)c1cc2[nH]c(nc2cc1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C22H19ClN2O4/c1-28-20(26)14-10-17-18(11-16(14)23)25-19(24-17)12-6-8-22(9-7-12)15-5-3-2-4-13(15)21(27)29-22/h2-5,10-12H,6-9H2,1H3,(H,24,25)/t12-,22-
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| InChIKey |
IHZYHFJFEHDQPT-ZCNVGUKTSA-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