General Information of the Compound
| Compound ID |
CP0164512
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| Compound Name |
(2S,5R)-4-[6-(3-Amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl]-5-ethyl-N-phenyl-2-morpholinecarboxamide
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| Structure |
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| Formula |
C25H28N8O2
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| Molecular Weight |
472.553
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| Canonical SMILES |
CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C25H28N8O2/c1-3-17-14-35-21(24(34)28-16-7-5-4-6-8-16)13-33(17)22-12-19(29-25(27-2)30-22)15-9-10-18-20(11-15)31-32-23(18)26/h4-12,17,21H,3,13-14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t17-,21+/m1/s1
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| InChIKey |
QLCDVXBLLOIZEO-UTKZUKDTSA-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