General Information of the Compound
| Compound ID |
CP0189448
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| Compound Name |
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-(4-methoxyanilino)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C17H22N6O3
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| Molecular Weight |
358.402
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| Canonical SMILES |
COc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1
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| InChI |
InChI=1S/C17H22N6O3/c1-25-11-4-2-10(3-5-11)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-26-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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| InChIKey |
GFFNRPFLOPELKU-UONOGXRCSA-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