General Information of the Compound
| Compound ID |
CP0489820
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| Compound Name |
azetidin-1-yl-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]methanone
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| Structure |
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| Formula |
C22H29N5OS
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| Molecular Weight |
411.575
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| Canonical SMILES |
O=C(N1CCC1)c1cccc(c1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C22H29N5OS/c28-21(26-12-5-13-26)18-7-4-6-17(16-18)20-23-24-22(29-20)27-14-8-19(9-15-27)25-10-2-1-3-11-25/h4,6-7,16,19H,1-3,5,8-15H2
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| InChIKey |
QJMNPQQZDBHAIW-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