General Information of the Compound
| Compound ID |
CP0414403
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| Compound Name |
4-(1-cyclohexylethenyl)-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C14H17N3
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| Molecular Weight |
227.311
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| Canonical SMILES |
C=C(C1CCCCC1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C14H17N3/c1-10(11-5-3-2-4-6-11)13-12-7-8-15-14(12)17-9-16-13/h7-9,11H,1-6H2,(H,15,16,17)
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| InChIKey |
XZABOWPIWJFDDW-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