General Information of the Compound
| Compound ID |
CP0339841
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| Compound Name |
5-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-[3-(tetrahydro-pyran-2-yloxy)-propyl]-1H-benzoimidazole
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| Structure |
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| Formula |
C27H31N5O2
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| Molecular Weight |
457.578
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| Canonical SMILES |
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2n(CCCOC3CCCCO3)cnc2c1
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| InChI |
InChI=1S/C27H31N5O2/c1-19-7-4-8-21(29-19)27-26(24-9-5-14-32(24)30-27)20-11-12-23-22(17-20)28-18-31(23)13-6-16-34-25-10-2-3-15-33-25/h4,7-8,11-12,17-18,25H,2-3,5-6,9-10,13-16H2,1H3
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| InChIKey |
FEZFMQOPZJEIEX-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
Protein ID: PT01221, TGF-beta receptor type-1
Protein ID: PT01867, TGF-beta receptor type-2