General Information of the Compound
| Compound ID |
CP0370075
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| Compound Name |
1-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
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| Structure |
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| Formula |
C23H26N8O2
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| Molecular Weight |
446.515
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| Canonical SMILES |
CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C23H26N8O2/c1-22(2,32)13-31-12-15(10-28-31)19-29-20(30-33-19)23(3,16-4-5-16)17-6-7-18(25-11-17)14-8-26-21(24)27-9-14/h6-12,16,32H,4-5,13H2,1-3H3,(H2,24,26,27)/t23-/m1/s1
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| InChIKey |
FJPXGDSQJNAKFW-HSZRJFAPSA-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