General Information of the Compound
| Compound ID |
CP0395691
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| Compound Name |
(E)-N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxopyrimidin-1-yl)pent-3-ene-1-sulfonamide
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| Structure |
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| Formula |
C21H27N3O5S
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| Molecular Weight |
433.53
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| Canonical SMILES |
C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
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| InChI |
InChI=1S/C21H27N3O5S/c1-16(18-6-5-7-19(14-18)29-15-17-8-9-17)23-30(27,28)13-4-2-3-11-24-12-10-20(25)22-21(24)26/h2-3,5-7,10,12,14,16-17,23H,4,8-9,11,13,15H2,1H3,(H,22,25,26)/b3-2+/t16-/m1/s1
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| InChIKey |
HVEFZPHPECITAC-WOMSROEHSA-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