General Information of the Compound
| Compound ID |
CP0199523
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| Compound Name |
5-(2-pyridin-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 |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
C(COC1CCCCO1)Cn1cnc2cc(ccc12)-c1c2CCCn2nc1-c1ccccn1
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| InChI |
InChI=1S/C26H29N5O2/c1-3-12-27-20(7-1)26-25(23-8-5-14-31(23)29-26)19-10-11-22-21(17-19)28-18-30(22)13-6-16-33-24-9-2-4-15-32-24/h1,3,7,10-12,17-18,24H,2,4-6,8-9,13-16H2
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| InChIKey |
VTPAYYPWGCIXCD-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