General Information of the Compound
| Compound ID |
CP0459009
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| Compound Name |
3-cyclohexyl-N-[(1S)-2-[(3S,6R)-3-(4-hydroxybenzyl)-6-p-anisyl-2,3,5,6-tetrahydroimidaz[1,2-a]imidazol-7-yl]-1-methyl-ethyl]propionamide
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| Structure |
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| Formula |
C32H44N4O3
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| Molecular Weight |
532.729
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| Canonical SMILES |
COc1ccc(C[C@@H]2CN3[C@@H](Cc4ccc(O)cc4)CN=C3N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1
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| InChI |
InChI=1S/C32H44N4O3/c1-23(34-31(38)17-12-24-6-4-3-5-7-24)21-35-28(19-26-10-15-30(39-2)16-11-26)22-36-27(20-33-32(35)36)18-25-8-13-29(37)14-9-25/h8-11,13-16,23-24,27-28,37H,3-7,12,17-22H2,1-2H3,(H,34,38)/t23-,27-,28+/m0/s1
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| InChIKey |
CDRYYXFKAKFKRQ-MXSCXNJPSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3