General Information of the Compound
| Compound ID |
CP0330038
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| Compound Name |
4-(2-phenylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C17H17N3
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| Molecular Weight |
263.344
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| Canonical SMILES |
C1CC(N(C1)c1ccnc2[nH]ccc12)c1ccccc1
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| InChI |
InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)
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| InChIKey |
GUMMAYIOLPYJKE-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