General Information of the Compound
| Compound ID |
CP0965330
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| Compound Name |
2-(1-Oxoisoindolin-2-yl)-2-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-N-thiazol-2-ylacetamide
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| Structure |
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| Formula |
C19H17N5O2S
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| Molecular Weight |
379.445
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| Canonical SMILES |
O=C(Nc1nccs1)C(c1n[nH]c2c1CCC2)N1Cc2ccccc2C1=O
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| InChI |
InChI=1S/C19H17N5O2S/c25-17(21-19-20-8-9-27-19)16(15-13-6-3-7-14(13)22-23-15)24-10-11-4-1-2-5-12(11)18(24)26/h1-2,4-5,8-9,16H,3,6-7,10H2,(H,22,23)(H,20,21,25)
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| InChIKey |
VNCMBWDONILNBE-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