General Information of the Compound
| Compound ID |
CP0484133
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| Compound Name |
US9212165, 46
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| Structure |
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| Formula |
C19H20N4OS
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| Molecular Weight |
352.463
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| Canonical SMILES |
Cc1nc(cs1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1
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| InChI |
InChI=1S/C19H20N4OS/c1-14-22-16(12-25-14)17(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)/t18-,19+/m0/s1
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| InChIKey |
OYFQWGAOVSXFKN-RBUKOAKNSA-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