General Information of the Compound
| Compound ID |
CP0577860
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| Compound Name |
US9409917, 19
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| Structure |
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| Formula |
C21H24ClN3O2
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| Molecular Weight |
385.895
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| Canonical SMILES |
Clc1ccc(cn1)C1(CNC(=O)C2CCOc3ncccc23)CCCCC1
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| InChI |
InChI=1S/C21H24ClN3O2/c22-18-7-6-15(13-24-18)21(9-2-1-3-10-21)14-25-19(26)16-8-12-27-20-17(16)5-4-11-23-20/h4-7,11,13,16H,1-3,8-10,12,14H2,(H,25,26)
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| InChIKey |
OCGNNUGNGDLYIX-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