General Information of the Compound
| Compound ID |
CP0556394
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| Compound Name |
US9212153, 46
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| Structure |
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| Formula |
C29H27N3O
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| Molecular Weight |
433.555
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| Canonical SMILES |
CN1OC2(C=C1N)c1cc(ccc1CC21CCCc2ccccc2C1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C29H27N3O/c1-32-27(31)18-29(33-32)26-15-23(22-9-4-6-20(14-22)19-30)11-12-25(26)17-28(29)13-5-10-21-7-2-3-8-24(21)16-28/h2-4,6-9,11-12,14-15,18H,5,10,13,16-17,31H2,1H3
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| InChIKey |
FIBXSMGYAQRUHJ-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