General Information of the Compound
| Compound ID |
CP0139326
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| Compound Name |
US9169260, 53
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| Structure |
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| Formula |
C25H27N7O3S
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| Molecular Weight |
505.604
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1)C1CC1
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| InChI |
InChI=1S/C25H27N7O3S/c1-36(34,35)30-13-9-19(10-14-30)22-15-23(28-25(33)21-16-27-31-12-2-11-26-24(21)31)32(29-22)20-7-5-18(6-8-20)17-3-4-17/h2,5-8,11-12,15-17,19H,3-4,9-10,13-14H2,1H3,(H,28,33)
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| InChIKey |
VOVPFNCBFJINAY-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