General Information of the Compound
| Compound ID |
CP0516765
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| Compound Name |
US8637501, 31
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| Structure |
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| Formula |
C28H31N3O2
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| Molecular Weight |
441.575
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| Canonical SMILES |
CC(C)N1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C28H31N3O2/c1-20(2)30-14-7-10-26-25(18-30)24-12-11-22(16-27(24)29(26)3)31-15-13-23(17-28(31)32)33-19-21-8-5-4-6-9-21/h4-6,8-9,11-13,15-17,20H,7,10,14,18-19H2,1-3H3
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| InChIKey |
RNDGJQJYHHXDST-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