General Information of the Compound
| Compound ID |
CP0454378
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| Compound Name |
2-(2-chlorophenyl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C26H23ClN4O2
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| Molecular Weight |
458.949
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| Canonical SMILES |
Clc1ccccc1-c1cc2c(ccn(-c3ccc4n(CCN5CCCC5)ncc4c3)c2=O)o1
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| InChI |
InChI=1S/C26H23ClN4O2/c27-22-6-2-1-5-20(22)25-16-21-24(33-25)9-12-30(26(21)32)19-7-8-23-18(15-19)17-28-31(23)14-13-29-10-3-4-11-29/h1-2,5-9,12,15-17H,3-4,10-11,13-14H2
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| InChIKey |
AKYWQWBYERSPLR-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