General Information of the Compound
| Compound ID |
CP0014285
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| Compound Name |
US9777008, Compound 150
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| Structure |
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| Formula |
C29H35NO3
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| Molecular Weight |
445.603
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| Canonical SMILES |
CC(C)(C)OCc1cccc(c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C29H35NO3/c1-29(2,3)33-20-22-8-6-11-24(16-22)25-12-7-13-28(17-25)32-21-27(31)19-30-15-14-23-9-4-5-10-26(23)18-30/h4-13,16-17,27,31H,14-15,18-21H2,1-3H3
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| InChIKey |
ZSRYHNCESVAGOT-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