General Information of the Compound
| Compound ID |
CP0439336
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| Compound Name |
N-methyl-2-[(2R)-2-[(1S,3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]propoxy]acetamide
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| Structure |
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| Formula |
C20H31N5O2
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| Molecular Weight |
373.501
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| Canonical SMILES |
CNC(=O)COC[C@H](C)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C20H31N5O2/c1-13-5-6-15(14(2)10-27-11-18(26)21-3)9-17(13)25(4)20-16-7-8-22-19(16)23-12-24-20/h7-8,12-15,17H,5-6,9-11H2,1-4H3,(H,21,26)(H,22,23,24)/t13-,14+,15+,17+/m1/s1
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| InChIKey |
WDLBWWINQSYDNG-AESZEHBQSA-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