General Information of the Compound
| Compound ID |
CP0099519
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| Compound Name |
US8618286, 3
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| Structure |
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| Formula |
C19H22N4O2S
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| Molecular Weight |
370.478
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| Canonical SMILES |
NC(=Nc1ccc2N(CCN3CCCC3)C(=O)COc2c1)c1cccs1
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| InChI |
InChI=1S/C19H22N4O2S/c20-19(17-4-3-11-26-17)21-14-5-6-15-16(12-14)25-13-18(24)23(15)10-9-22-7-1-2-8-22/h3-6,11-12H,1-2,7-10,13H2,(H2,20,21)
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| InChIKey |
LFKLDLHIJLFFAI-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