General Information of the Compound
| Compound ID |
CP0554640
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| Compound Name |
US9266876, 82
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| Structure |
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| Formula |
C30H28N8O2S
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| Molecular Weight |
564.675
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| Canonical SMILES |
COc1ccccc1-c1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
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| InChI |
InChI=1S/C30H28N8O2S/c1-19-16-36(14-15-38(19)25(39)17-37-18-32-23-11-7-13-31-28(23)37)30-26(27-33-21-9-4-5-10-22(21)34-27)35-29(41-30)20-8-3-6-12-24(20)40-2/h3-13,18-19H,14-17H2,1-2H3,(H,33,34)/t19-/m1/s1
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| InChIKey |
FLASLPWERVBSQH-LJQANCHMSA-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