General Information of the Compound
| Compound ID |
CP0010469
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| Compound Name |
US9777008, Compound 90
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| Structure |
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| Formula |
C26H29NO3
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| Molecular Weight |
403.522
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| Canonical SMILES |
COc1ccc(c(C)c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C26H29NO3/c1-19-14-24(29-2)10-11-26(19)21-8-5-9-25(15-21)30-18-23(28)17-27-13-12-20-6-3-4-7-22(20)16-27/h3-11,14-15,23,28H,12-13,16-18H2,1-2H3
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| InChIKey |
SWLQJMYDWWSEOR-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