General Information of the Compound
| Compound ID |
CP0521422
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| Compound Name |
4-(benzo[b]thiophen-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C26H24N4OS
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| Molecular Weight |
440.572
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| Canonical SMILES |
O=c1cc(ccn1-c1ccc2n(CCN3CCCC3)ncc2c1)-c1cc2ccccc2s1
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| InChI |
InChI=1S/C26H24N4OS/c31-26-17-20(25-16-19-5-1-2-6-24(19)32-25)9-12-29(26)22-7-8-23-21(15-22)18-27-30(23)14-13-28-10-3-4-11-28/h1-2,5-9,12,15-18H,3-4,10-11,13-14H2
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| InChIKey |
ZONNCULPFMBFIR-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