General Information of the Compound
| Compound ID |
CP0254997
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| Compound Name |
7-cyclohexyl-5,5-dimethyl-N-phenyl-6H-pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H26N4
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| Molecular Weight |
322.456
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| Canonical SMILES |
CC1(C)CN(C2CCCCC2)c2nc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C20H26N4/c1-20(2)14-24(16-11-7-4-8-12-16)18-17(20)13-21-19(23-18)22-15-9-5-3-6-10-15/h3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1-2H3,(H,21,22,23)
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| InChIKey |
UMJQDPKVYPKPHS-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