General Information of the Compound
Compound ID |
CP0257107
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Compound Name |
3-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dimethylpiperidin-4-yl)benzo[d]oxazol-2(3H)-one
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Structure |
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Formula |
C21H21Cl2N3O3
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Molecular Weight |
434.323
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Canonical SMILES |
C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
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InChI |
InChI=1S/C21H21Cl2N3O3/c1-11-7-14(26-17-5-3-4-6-18(17)29-21(26)28)8-12(2)25(11)20(27)13-9-15(22)19(24)16(23)10-13/h3-6,9-12,14H,7-8,24H2,1-2H3/t11-,12-/m1/s1
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InChIKey |
QZRRAORQYWPWHA-VXGBXAGGSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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