General Information of the Compound
| Compound ID |
CP0279021
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| Compound Name |
7-N-[3-(1H-imidazol-1-yl)propyl]-4-N-(3-methylphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C20H21N7
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| Molecular Weight |
359.437
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1
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| InChI |
InChI=1S/C20H21N7/c1-15-4-2-5-16(10-15)26-20-17-12-23-19(11-18(17)24-13-25-20)22-6-3-8-27-9-7-21-14-27/h2,4-5,7,9-14H,3,6,8H2,1H3,(H,22,23)(H,24,25,26)
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| InChIKey |
OKJBKEUQKDDCKF-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