General Information of the Compound
| Compound ID |
CP0495616
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| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,5,8-trimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyl-1-piperidin-1-yltrideca-2,6,10-trien-1-one
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| Formula |
C33H49NO3
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| Molecular Weight |
507.759
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| Canonical SMILES |
C\C(CC\C=C(/C)C(=O)N1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
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| InChI |
InChI=1S/C33H49NO3/c1-24(15-11-17-26(3)32(36)34-21-8-7-9-22-34)13-10-14-25(2)16-12-19-33(6)20-18-29-28(5)30(35)23-27(4)31(29)37-33/h13,16-17,23,35H,7-12,14-15,18-22H2,1-6H3/b24-13+,25-16+,26-17+/t33-/m1/s1
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| InChIKey |
NGXWBMAMCHPHGC-SQDBDZGRSA-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