General Information of the Compound
| Compound ID |
CP0176359
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| Compound Name |
US8933228, 8
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| Structure |
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| Formula |
C33H31N7O3
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| Molecular Weight |
573.657
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)c(C)nc23)c2ccccc12)C(C)(C)C
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| InChI |
InChI=1S/C33H31N7O3/c1-19-10-12-21(13-11-19)40-28(18-27(39-40)33(3,4)5)37-32(42)36-24-14-15-25(23-9-7-6-8-22(23)24)43-26-16-17-34-30-29(26)35-20(2)31(41)38-30/h6-18H,1-5H3,(H,34,38,41)(H2,36,37,42)
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| InChIKey |
YMXZIONZPMRKQD-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