General Information of the Compound
| Compound ID |
CP0573828
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| Compound Name |
3-(3,5-Dimethoxyphenyl)-1-methyl-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one
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| Structure |
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| Formula |
C18H18N4O3
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| Molecular Weight |
338.367
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| Canonical SMILES |
COc1cc(OC)cc(c1)N1Cc2cnc3[nH]ccc3c2N(C)C1=O
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| InChI |
InChI=1S/C18H18N4O3/c1-21-16-11(9-20-17-15(16)4-5-19-17)10-22(18(21)23)12-6-13(24-2)8-14(7-12)25-3/h4-9H,10H2,1-3H3,(H,19,20)
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| InChIKey |
SIHZJQZSPAIYMX-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