General Information of the Compound
| Compound ID |
CP0505851
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| Compound Name |
5-N-(2-chloro-4-methoxyphenyl)-5-N-(methoxymethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C21H28ClN5O2
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| Molecular Weight |
417.941
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| Canonical SMILES |
CCCN(CCC)c1cc(nc2ccnn12)N(COC)c1ccc(OC)cc1Cl
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| InChI |
InChI=1S/C21H28ClN5O2/c1-5-11-25(12-6-2)21-14-20(24-19-9-10-23-27(19)21)26(15-28-3)18-8-7-16(29-4)13-17(18)22/h7-10,13-14H,5-6,11-12,15H2,1-4H3
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| InChIKey |
BHKGCOKSBGNTIE-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