General Information of the Compound
| Compound ID |
CP0475045
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| Compound Name |
Dihydropyrimidine, 19
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| Structure |
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| Formula |
C26H24N6O4S
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| Molecular Weight |
516.583
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| Canonical SMILES |
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(N)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C26H24N6O4S/c1-15-23(26(33)30-19-7-12-22-18(13-19)14-28-32-22)24(16-5-10-21(11-6-16)37(27,34)35)31-25(29-15)17-3-8-20(36-2)9-4-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)
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| InChIKey |
SXFFNERBTMUDJT-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