General Information of the Compound
| Compound ID |
CP0542071
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| Compound Name |
US9079906, 199
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| Structure |
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| Formula |
C27H37N5O5
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| Molecular Weight |
511.623
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| Canonical SMILES |
COc1c(OCCCCO)cc(cc1C(C)(C)C)C(=O)Cn1nc2c(C)cc(OCC3CC3)nn2c1=N
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| InChI |
InChI=1S/C27H37N5O5/c1-17-12-23(37-16-18-8-9-18)29-32-25(17)30-31(26(32)28)15-21(34)19-13-20(27(2,3)4)24(35-5)22(14-19)36-11-7-6-10-33/h12-14,18,28,33H,6-11,15-16H2,1-5H3
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| InChIKey |
CTSXGMNWFUBMOP-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