General Information of the Compound
| Compound ID |
CP0208734
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| Compound Name |
N,N-diethyl-3-[6-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-amine
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| Structure |
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| Formula |
C26H32N6
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| Molecular Weight |
428.584
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| Canonical SMILES |
CCN(CC)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1
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| InChI |
InChI=1S/C26H32N6/c1-4-30(5-2)14-8-15-31-18-27-21-13-12-20(17-24(21)31)25-23-11-7-16-32(23)29-26(25)22-10-6-9-19(3)28-22/h6,9-10,12-13,17-18H,4-5,7-8,11,14-16H2,1-3H3
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| InChIKey |
FNYQWZISNWTOFA-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