General Information of the Compound
| Compound ID |
CP0479203
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| Compound Name |
2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
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| Structure |
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| Formula |
C20H19ClN4O4
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| Molecular Weight |
414.849
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C20H19ClN4O4/c1-12-11-24(8-9-25(12)15-5-2-13(21)3-6-15)19(27)18(26)22-14-4-7-16-17(10-14)29-20(28)23-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,28)/t12-/m1/s1
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| InChIKey |
JRUXUDTVKCKVFG-GFCCVEGCSA-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