General Information of the Compound
| Compound ID |
CP0634176
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| Compound Name |
Tetrahydro-pyran-4-carboxylic acid ethyl-[4'-methyl-5-(1-pyrazin-2-yl-ethylcarbamoyl)-biphenyl-3-yl]-amide
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
CCN(C(=O)C1CCOCC1)c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C28H32N4O3/c1-4-32(28(34)22-9-13-35-14-10-22)25-16-23(21-7-5-19(2)6-8-21)15-24(17-25)27(33)31-20(3)26-18-29-11-12-30-26/h5-8,11-12,15-18,20,22H,4,9-10,13-14H2,1-3H3,(H,31,33)
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| InChIKey |
WPKVXTNRSMLNFW-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