General Information of the Compound
| Compound ID |
CP0302887
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| Compound Name |
N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
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| Structure |
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| Formula |
C20H17N3OS
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| Molecular Weight |
347.443
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| Canonical SMILES |
O=C(Cn1c(cc2ccccc12)-c1cccs1)NCc1ccccn1
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| InChI |
InChI=1S/C20H17N3OS/c24-20(22-13-16-7-3-4-10-21-16)14-23-17-8-2-1-6-15(17)12-18(23)19-9-5-11-25-19/h1-12H,13-14H2,(H,22,24)
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| InChIKey |
HTRIQCMSXMSDKF-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