General Information of the Compound
| Compound ID |
CP0183149
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| Compound Name |
5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C24H28N8O
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| Molecular Weight |
444.543
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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| InChIKey |
KDIHNMYGWTUGIV-DEOSSOPVSA-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