General Information of the Compound
| Compound ID |
CP0539554
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| Compound Name |
N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]-1H-benzimidazol-2-amine
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| Structure |
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| Formula |
C24H23N7
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| Molecular Weight |
409.497
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| Canonical SMILES |
C1CC(CN(C1)c1ncnc2[nH]ccc12)c1cccc(Nc2nc3ccccc3[nH]2)c1
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| InChI |
InChI=1S/C24H23N7/c1-2-9-21-20(8-1)29-24(30-21)28-18-7-3-5-16(13-18)17-6-4-12-31(14-17)23-19-10-11-25-22(19)26-15-27-23/h1-3,5,7-11,13,15,17H,4,6,12,14H2,(H,25,26,27)(H2,28,29,30)
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| InChIKey |
AKUZVTJTTLCFAD-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