General Information of the Compound
| Compound ID |
CP0567065
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| Compound Name |
US8772323, 23
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| Structure |
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| Formula |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)-c2nc3ccc(cc3o2)C2=NNC(=O)C3CC23)CC1
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| InChI |
InChI=1S/C28H31N5O4/c1-28(2,3)37-27(35)33-12-10-32(11-13-33)16-17-4-6-18(7-5-17)26-29-22-9-8-19(14-23(22)36-26)24-20-15-21(20)25(34)31-30-24/h4-9,14,20-21H,10-13,15-16H2,1-3H3,(H,31,34)
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| InChIKey |
DYSNJTNIOVIQJR-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