General Information of the Compound
| Compound ID |
CP0376779
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| Compound Name |
(R)-2-((1S,3S,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)propan-1-ol
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| Structure |
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| Formula |
C17H26N4O
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| Molecular Weight |
302.422
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| Canonical SMILES |
C[C@@H](CO)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C17H26N4O/c1-11-4-5-13(12(2)9-22)8-15(11)21(3)17-14-6-7-18-16(14)19-10-20-17/h6-7,10-13,15,22H,4-5,8-9H2,1-3H3,(H,18,19,20)/t11-,12+,13+,15+/m1/s1
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| InChIKey |
OTKXTQXJUVNMLT-OSFYFWSMSA-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