General Information of the Compound
| Compound ID |
CP0343570
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| Compound Name |
6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-yl-propyl)-1H-benzoimidazole
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| Structure |
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| Formula |
C27H32N6
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| Molecular Weight |
440.595
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| Canonical SMILES |
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCCC3)c2c1
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| InChI |
InChI=1S/C27H32N6/c1-20-8-5-9-23(29-20)27-26(24-10-6-17-33(24)30-27)21-11-12-22-25(18-21)32(19-28-22)16-7-15-31-13-3-2-4-14-31/h5,8-9,11-12,18-19H,2-4,6-7,10,13-17H2,1H3
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| InChIKey |
YYAOGZMGXIQAJJ-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