General Information of the Compound
| Compound ID |
CP0409834
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| Compound Name |
2-(2,5-Dimethyl-piperidin-1-yl)-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C19H21N3O
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| Molecular Weight |
307.397
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| Canonical SMILES |
CC1CCC(C)N(C1)c1cc(=O)n2ccc3ccccc3c2n1
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| InChI |
InChI=1S/C19H21N3O/c1-13-7-8-14(2)22(12-13)17-11-18(23)21-10-9-15-5-3-4-6-16(15)19(21)20-17/h3-6,9-11,13-14H,7-8,12H2,1-2H3
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| InChIKey |
XYIMDEUMYCPVNQ-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