General Information of the Compound
| Compound ID |
CP0455099
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| Compound Name |
US10266535, Compound 47
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| Structure |
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| Formula |
C25H27N7O2
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| Molecular Weight |
457.538
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| Canonical SMILES |
C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C25H27N7O2/c1-16(26)25(33)31-13-5-6-18(14-31)32-24-21(23(27)28-15-29-24)22(30-32)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18H,5-6,13-14,26H2,1H3,(H2,27,28,29)/t16-,18-/m1/s1
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| InChIKey |
OTEIDYMRWGMHOA-SJLPKXTDSA-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