General Information of the Compound
| Compound ID |
CP0456811
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| Compound Name |
CHEMBL3623054
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| Formula |
C22H24N6O3S
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| Molecular Weight |
452.54
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)n1cnnn1)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C22H24N6O3S/c1-31-18-8-5-9-19-20(18)21(25-32(19,29)30)23-14-22(16-6-3-2-4-7-16)12-10-17(11-13-22)28-15-24-26-27-28/h2-9,15,17H,10-14H2,1H3,(H,23,25)/t17-,22-
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| InChIKey |
YRYVRDWTFZNPGZ-VVOJOOEHSA-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