General Information of the Compound
| Compound ID |
CP0212290
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| Compound Name |
US8680275, 21
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| Structure |
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| Formula |
C22H24N4O2S
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| Molecular Weight |
408.527
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| Canonical SMILES |
Cc1ccc(C)c(c1)S(=O)(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C22H24N4O2S/c1-15-7-8-16(2)21(11-15)29(27,28)25-10-9-17-13-26(20(17)14-25)22-12-23-18-5-3-4-6-19(18)24-22/h3-8,11-12,17,20H,9-10,13-14H2,1-2H3
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| InChIKey |
KCVIQJNZQQPBRD-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