General Information of the Compound
| Compound ID |
CP0545810
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| Compound Name |
US9315518, 2-8
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| Structure |
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| Formula |
C22H26N6O2S
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| Molecular Weight |
438.557
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1csnn1
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| InChI |
InChI=1S/C22H26N6O2S/c1-22(2,3)12-28-18-8-7-16(23-19(18)26(4)21(28)30)15-9-14-6-5-13(15)10-27(14)20(29)17-11-31-25-24-17/h7-9,11,13-14H,5-6,10,12H2,1-4H3
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| InChIKey |
YBEWYHYVINQVQI-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