General Information of the Compound
| Compound ID |
CP0064772
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| Compound Name |
US8680275, 60
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| Structure |
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| Formula |
C21H20N4OS
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| Molecular Weight |
376.485
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| Canonical SMILES |
Cc1ccnc(n1)N1CC2CN(CC12)C(=O)c1ccccc1-c1cccs1
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| InChI |
InChI=1S/C21H20N4OS/c1-14-8-9-22-21(23-14)25-12-15-11-24(13-18(15)25)20(26)17-6-3-2-5-16(17)19-7-4-10-27-19/h2-10,15,18H,11-13H2,1H3
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| InChIKey |
KFXKNWZMYLECKX-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