General Information of the Compound
| Compound ID |
CP0460057
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| Compound Name |
[5-(2,3-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H22Cl2N4O2
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| Molecular Weight |
445.35
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| Canonical SMILES |
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1
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| InChI |
InChI=1S/C22H22Cl2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3/t17-/m0/s1
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| InChIKey |
NWLPWXWFLGAKIV-KRWDZBQOSA-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