General Information of the Compound
| Compound ID |
CP0303904
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| Compound Name |
2-[4-[(1R,2R)-2-[[3-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-5-(methoxymethyl)pyrimidine
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| Structure |
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| Formula |
C23H28FN7O2
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| Molecular Weight |
453.522
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| Canonical SMILES |
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)-n1cnnn1
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| InChI |
InChI=1S/C23H28FN7O2/c1-32-12-17-10-25-23(26-11-17)30-6-4-18(5-7-30)20-9-19(20)14-33-13-16-2-3-22(21(24)8-16)31-15-27-28-29-31/h2-3,8,10-11,15,18-20H,4-7,9,12-14H2,1H3/t19-,20+/m0/s1
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| InChIKey |
XXWFFIJGKMRFPX-VQTJNVASSA-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