General Information of the Compound
| Compound ID |
CP0107942
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| Compound Name |
US8933228, 1
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| Structure |
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| Formula |
C31H29N7O3
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| Molecular Weight |
547.619
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C
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| InChI |
InChI=1S/C31H29N7O3/c1-18-9-11-19(12-10-18)38-26(17-25(37-38)31(2,3)4)34-29(39)33-22-13-14-23(21-8-6-5-7-20(21)22)41-24-15-16-32-28-27(24)35-30(40)36-28/h5-17H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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| InChIKey |
DGDQMZKPMBIFOF-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