General Information of the Compound
| Compound ID |
CP0555627
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| Compound Name |
(2E,6E,10E)-N-(cyclohexylmethyl)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienamide
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| Formula |
C34H51NO3
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| Molecular Weight |
521.786
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| Canonical SMILES |
C\C(CC\C=C(/C)C(=O)NCC1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1
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| InChI |
InChI=1S/C34H51NO3/c1-25(14-10-16-27(3)33(37)35-24-29-17-7-6-8-18-29)12-9-13-26(2)15-11-20-34(5)21-19-30-23-31(36)22-28(4)32(30)38-34/h12,15-16,22-23,29,36H,6-11,13-14,17-21,24H2,1-5H3,(H,35,37)/b25-12+,26-15+,27-16+/t34-/m1/s1
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| InChIKey |
AOZICLAEHWFGNP-MONITXDDSA-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