General Information of the Compound
| Compound ID |
CP0141936
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| Compound Name |
2-[3-fluoro-4-[[(1R,2R)-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C28H37FN4O4
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| Molecular Weight |
512.626
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| Canonical SMILES |
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(CC(=O)N2CCOCC2)cc1F
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| InChI |
InChI=1S/C28H37FN4O4/c1-35-17-21-15-30-28(31-16-21)33-6-4-22(5-7-33)25-14-24(25)19-37-18-23-3-2-20(12-26(23)29)13-27(34)32-8-10-36-11-9-32/h2-3,12,15-16,22,24-25H,4-11,13-14,17-19H2,1H3/t24-,25+/m0/s1
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| InChIKey |
WTZUDEIFULEFJN-LOSJGSFVSA-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