General Information of the Compound
| Compound ID |
CP0389228
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| Compound Name |
5-[4-[1-[5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C25H31N7O2
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| Molecular Weight |
461.57
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| Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CCN(CC2CCCO2)CC1
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| InChI |
InChI=1S/C25H31N7O2/c26-23-27-15-19(16-28-23)18-4-6-20(7-5-18)25(8-2-9-25)22-29-24(34-30-22)32-12-10-31(11-13-32)17-21-3-1-14-33-21/h4-7,15-16,21H,1-3,8-14,17H2,(H2,26,27,28)
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| InChIKey |
VPZTVZDBXYMOSG-UHFFFAOYSA-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