General Information of the Compound
| Compound ID |
CP0472526
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| Compound Name |
5-N-(2-chloro-4-methoxyphenyl)-5-N-prop-2-enyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C22H28ClN5O
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| Molecular Weight |
413.953
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| Canonical SMILES |
CCCN(CCC)c1cc(nc2ccnn12)N(CC=C)c1ccc(OC)cc1Cl
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| InChI |
InChI=1S/C22H28ClN5O/c1-5-12-26(13-6-2)22-16-21(25-20-10-11-24-28(20)22)27(14-7-3)19-9-8-17(29-4)15-18(19)23/h7-11,15-16H,3,5-6,12-14H2,1-2,4H3
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| InChIKey |
KPHGNPJLAYZDKV-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