General Information of the Compound
| Compound ID |
CP0094510
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| Compound Name |
(1-methylcyclopropyl) 4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H28FN5O3
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| Molecular Weight |
429.496
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1
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| InChI |
InChI=1S/C22H28FN5O3/c1-22(6-7-22)31-21(29)27-8-4-15(5-9-27)19-10-17(19)13-30-12-16-2-3-18(11-20(16)23)28-14-24-25-26-28/h2-3,11,14-15,17,19H,4-10,12-13H2,1H3/t17-,19+/m0/s1
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| InChIKey |
KWTCVUPNCYCSHK-PKOBYXMFSA-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