General Information of the Compound
| Compound ID |
CP0576600
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| Compound Name |
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
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| Structure |
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| Formula |
C19H25N3O3S2
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| Molecular Weight |
407.561
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| Canonical SMILES |
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCCc2c1
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| InChI |
InChI=1S/C19H25N3O3S2/c1-21-11-8-20-19(21)26-14-15-6-9-22(10-7-15)27(23,24)17-4-5-18-16(13-17)3-2-12-25-18/h4-5,8,11,13,15H,2-3,6-7,9-10,12,14H2,1H3
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| InChIKey |
HOTZXRMCYPMGDN-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