General Information of the Compound
| Compound ID |
CP0378232
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| Compound Name |
6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C16H17N3
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| Molecular Weight |
251.333
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| Canonical SMILES |
C1Cc2cc(cnc2N1)-c1ccc2CNCCc2c1
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| InChI |
InChI=1S/C16H17N3/c1-2-14-9-17-5-3-12(14)7-11(1)15-8-13-4-6-18-16(13)19-10-15/h1-2,7-8,10,17H,3-6,9H2,(H,18,19)
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| InChIKey |
RZYZZQBKJJEYGC-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