General Information of the Compound
| Compound ID |
CP0237378
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| Compound Name |
1-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
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| Structure |
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
C[C@](C1CC1)(c1noc(n1)N1CCC(O)CC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H26N6O2/c1-22(17-6-7-17,19-26-21(30-27-19)28-10-8-18(29)9-11-28)16-4-2-14(3-5-16)15-12-24-20(23)25-13-15/h2-5,12-13,17-18,29H,6-11H2,1H3,(H2,23,24,25)/t22-/m0/s1
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| InChIKey |
YHOZAQINMVCOBA-QFIPXVFZSA-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