General Information of the Compound
| Compound ID |
CP0421546
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| Compound Name |
4-(1-but-3-enylpyrazol-4-yl)-N-(4-piperidin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C24H27N7
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| Molecular Weight |
413.529
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| Canonical SMILES |
C=CCCn1cc(cn1)-c1nc(Nc2ccc(cc2)C2CCNCC2)nc2[nH]ccc12
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| InChI |
InChI=1S/C24H27N7/c1-2-3-14-31-16-19(15-27-31)22-21-10-13-26-23(21)30-24(29-22)28-20-6-4-17(5-7-20)18-8-11-25-12-9-18/h2,4-7,10,13,15-16,18,25H,1,3,8-9,11-12,14H2,(H2,26,28,29,30)
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| InChIKey |
OZUDWDBQZJPKOG-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