General Information of the Compound
| Compound ID |
CP0553764
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| Compound Name |
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide;dihydrochloride
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| Structure |
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| Formula |
C21H33Cl2N3O4S
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| Molecular Weight |
494.485
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| Canonical SMILES |
Cl.Cl.O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C21H31N3O4S.2ClH/c25-21(16-23-12-14-29(26,27)15-13-23)22-17-4-6-19(7-5-17)28-20-8-10-24(11-9-20)18-2-1-3-18;;/h4-7,18,20H,1-3,8-16H2,(H,22,25);2*1H
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| InChIKey |
UOLGHEFPYJBKJA-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