General Information of the Compound
| Compound ID |
CP0414220
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| Compound Name |
US9303045, 186
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
CN(C1CC2COCC(C1)N2C)C(=O)c1cn(-c2cnsc2)c2ccccc12
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| InChI |
InChI=1S/C21H24N4O2S/c1-23-15-7-14(8-16(23)12-27-11-15)24(2)21(26)19-10-25(17-9-22-28-13-17)20-6-4-3-5-18(19)20/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3
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| InChIKey |
TXRVQBMEVIEURT-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