General Information of the Compound
| Compound ID |
CP0561599
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| Compound Name |
US9266876, 59
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| Structure |
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| Formula |
C25H21N7OS
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| Molecular Weight |
467.558
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| Canonical SMILES |
O=C(Cn1cc(C#N)c2ccccc12)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H21N7OS/c26-13-17-14-32(21-8-4-1-5-18(17)21)15-22(33)30-9-11-31(12-10-30)25-23(27-16-34-25)24-28-19-6-2-3-7-20(19)29-24/h1-8,14,16H,9-12,15H2,(H,28,29)
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| InChIKey |
KPKRNRYTISOSIX-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