General Information of the Compound
| Compound ID |
CP0087501
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| Compound Name |
2-[4-[(1R,2R)-2-[(4-ethylsulfonyl-2-fluorophenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-5-(methoxymethyl)pyrimidine
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| Structure |
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| Formula |
C24H32FN3O4S
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| Molecular Weight |
477.602
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(COC)cn2)c(F)c1
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| InChI |
InChI=1S/C24H32FN3O4S/c1-3-33(29,30)21-5-4-19(23(25)11-21)15-32-16-20-10-22(20)18-6-8-28(9-7-18)24-26-12-17(13-27-24)14-31-2/h4-5,11-13,18,20,22H,3,6-10,14-16H2,1-2H3/t20-,22+/m0/s1
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| InChIKey |
CSGBBNSZGZUUSJ-RBBKRZOGSA-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