General Information of the Compound
| Compound ID |
CP0493855
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| Compound Name |
5-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C19H27N3O4S
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| Molecular Weight |
393.509
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| Canonical SMILES |
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3oc(O)nc3c2)CC1
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| InChI |
InChI=1S/C19H27N3O4S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)27(24,25)16-4-5-18-17(13-16)20-19(23)26-18/h4-5,13-15H,2-3,6-12H2,1H3,(H,20,23)/t15-/m1/s1
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| InChIKey |
YXVPQTLPRNPREV-OAHLLOKOSA-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