General Information of the Compound
| Compound ID |
CP0478043
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| Compound Name |
US9266876, 39
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| Structure |
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| Formula |
C25H25N7OS
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| Molecular Weight |
471.59
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| Canonical SMILES |
CCc1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN(CC1)C(=O)Cn1ccc2cccnc12
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| InChI |
InChI=1S/C25H25N7OS/c1-2-20-29-22(23-27-18-7-3-4-8-19(18)28-23)25(34-20)31-14-12-30(13-15-31)21(33)16-32-11-9-17-6-5-10-26-24(17)32/h3-11H,2,12-16H2,1H3,(H,27,28)
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| InChIKey |
KYWSSMSPIONJII-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