General Information of the Compound
| Compound ID |
CP0457514
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| Compound Name |
1'-(benzo[d]thiazol-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C19H16N2O2S
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| Molecular Weight |
336.416
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| Canonical SMILES |
O=C1OC2(CCN(CC2)c2nc3ccccc3s2)c2ccccc12
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| InChI |
InChI=1S/C19H16N2O2S/c22-17-13-5-1-2-6-14(13)19(23-17)9-11-21(12-10-19)18-20-15-7-3-4-8-16(15)24-18/h1-8H,9-12H2
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| InChIKey |
NCUNIFKXVMUICV-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