General Information of the Compound
| Compound ID |
CP0375393
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| Compound Name |
Dihydropyrimidine, 18
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
COc1ccc(cc1)C1=NC(C)=C(C(C)N1)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C21H21N5O2/c1-12-19(21(27)25-16-6-9-18-15(10-16)11-22-26-18)13(2)24-20(23-12)14-4-7-17(28-3)8-5-14/h4-12H,1-3H3,(H,22,26)(H,23,24)(H,25,27)
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| InChIKey |
ZOLMUBFKFYQRGY-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