General Information of the Compound
| Compound ID |
CP0565787
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| Compound Name |
US9266876, 75
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| Structure |
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| Formula |
C25H22N8O2S
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| Molecular Weight |
498.572
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| Canonical SMILES |
Cn1c2ccccc2n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3cc(ccc3[nH]2)C#N)c1=O
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| InChI |
InChI=1S/C25H22N8O2S/c1-30-19-4-2-3-5-20(19)33(25(30)35)14-21(34)31-8-10-32(11-9-31)24-22(27-15-36-24)23-28-17-7-6-16(13-26)12-18(17)29-23/h2-7,12,15H,8-11,14H2,1H3,(H,28,29)
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| InChIKey |
ZGPRGZBQSUGGEI-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