General Information of the Compound
| Compound ID |
CP0262730
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| Compound Name |
6-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]chromen-4-one
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
O=c1ccoc2ccc(cc12)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C21H24N4O2S/c26-18-8-13-27-19-5-4-15(14-17(18)19)20-22-23-21(28-20)25-11-6-16(7-12-25)24-9-2-1-3-10-24/h4-5,8,13-14,16H,1-3,6-7,9-12H2
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| InChIKey |
PNZDIUZVTSJTRC-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