General Information of the Compound
| Compound ID |
CP0423963
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| Compound Name |
US9428456, 2.100
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| Structure |
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| Formula |
C26H31ClFN3O2
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| Molecular Weight |
472.004
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| Canonical SMILES |
Fc1ccc(CC(=O)Nc2cccc(CN3CCC(C3)C(=O)NC3CCCCC3)c2)c(Cl)c1
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| InChI |
InChI=1S/C26H31ClFN3O2/c27-24-15-21(28)10-9-19(24)14-25(32)29-23-8-4-5-18(13-23)16-31-12-11-20(17-31)26(33)30-22-6-2-1-3-7-22/h4-5,8-10,13,15,20,22H,1-3,6-7,11-12,14,16-17H2,(H,29,32)(H,30,33)
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| InChIKey |
QGWWQJLDNLOFPE-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