General Information of the Compound
| Compound ID |
CP0070210
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| Compound Name |
5-chloro-2-[4-[(1R,2R)-2-[(5-methylsulfonylpyridin-2-yl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
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| Structure |
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| Formula |
C20H25ClN4O3S
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| Molecular Weight |
436.965
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| Canonical SMILES |
CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1
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| InChI |
InChI=1S/C20H25ClN4O3S/c1-29(26,27)18-3-2-17(22-11-18)13-28-12-15-8-19(15)14-4-6-25(7-5-14)20-23-9-16(21)10-24-20/h2-3,9-11,14-15,19H,4-8,12-13H2,1H3/t15-,19+/m0/s1
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| InChIKey |
SJSYSGNFNMNHDK-HNAYVOBHSA-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