General Information of the Compound
| Compound ID |
CP0461577
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| Compound Name |
US9125915, compound 3
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| Structure |
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| Formula |
C26H26N6O2S
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| Molecular Weight |
486.601
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| Canonical SMILES |
CCOC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Nc2cccnc2)cc1
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| InChI |
InChI=1S/C26H26N6O2S/c1-5-34-22(33)13-21-25-31-30-17(4)32(25)26-23(15(2)16(3)35-26)24(29-21)18-8-10-19(11-9-18)28-20-7-6-12-27-14-20/h6-12,14,21,28H,5,13H2,1-4H3/t21-/m0/s1
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| InChIKey |
QTHRZMXZOREJPN-NRFANRHFSA-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