General Information of the Compound
| Compound ID |
CP0127415
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| Compound Name |
1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-methylpropan-2-ol
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| Structure |
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| Formula |
C25H33N7O2
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| Molecular Weight |
463.586
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| Canonical SMILES |
CC(C)(O)CN1CCN(CC1)c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C25H33N7O2/c1-24(2,33)16-31-10-12-32(13-11-31)23-29-21(30-34-23)25(3,20-8-9-20)19-6-4-17(5-7-19)18-14-27-22(26)28-15-18/h4-7,14-15,20,33H,8-13,16H2,1-3H3,(H2,26,27,28)/t25-/m0/s1
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| InChIKey |
YIFVJSJULNGXNW-VWLOTQADSA-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