General Information of the Compound
| Compound ID |
CP0072457
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| Compound Name |
2-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
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| Structure |
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| Formula |
C27H29N5O3
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| Molecular Weight |
471.561
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(=O)n(Cc2cccc(c2)-c2ncc(OCCCN(C)C)cn2)n1
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| InChI |
InChI=1S/C27H29N5O3/c1-31(2)13-6-14-35-24-17-28-27(29-18-24)22-9-4-7-20(15-22)19-32-26(33)12-11-25(30-32)21-8-5-10-23(16-21)34-3/h4-5,7-12,15-18H,6,13-14,19H2,1-3H3
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| InChIKey |
RTKBHBAMZLAVKQ-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