General Information of the Compound
| Compound ID |
CP0541904
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| Compound Name |
CHEMBL490824
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| Formula |
C26H21ClN2O2
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| Molecular Weight |
428.919
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| Canonical SMILES |
Clc1cc2[nH]c(nc2cc1-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C26H21ClN2O2/c27-21-15-23-22(14-19(21)16-6-2-1-3-7-16)28-24(29-23)17-10-12-26(13-11-17)20-9-5-4-8-18(20)25(30)31-26/h1-9,14-15,17H,10-13H2,(H,28,29)/t17-,26-
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| InChIKey |
GJAIVYBZNPYODK-PJCCXEONSA-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