General Information of the Compound
| Compound ID |
CP0507412
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| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyl-1-piperidin-1-yltrideca-2,6,10-trien-1-one
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| Formula |
C32H47NO3
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| Molecular Weight |
493.732
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| Canonical SMILES |
C\C(CC\C=C(/C)C(=O)N1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1
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| InChI |
InChI=1S/C32H47NO3/c1-24(14-10-16-26(3)31(35)33-20-7-6-8-21-33)12-9-13-25(2)15-11-18-32(5)19-17-28-23-29(34)22-27(4)30(28)36-32/h12,15-16,22-23,34H,6-11,13-14,17-21H2,1-5H3/b24-12+,25-15+,26-16+/t32-/m1/s1
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| InChIKey |
VHTHAULOEMCOFP-XCJUXNEMSA-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