General Information of the Compound
| Compound ID |
CP0380506
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| Compound Name |
2-cyclopropyl-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C18H25N5O
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| Molecular Weight |
327.432
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| Canonical SMILES |
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC1CC1
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| InChI |
InChI=1S/C18H25N5O/c1-12-6-8-23(16(24)9-13-3-4-13)10-15(12)22(2)18-14-5-7-19-17(14)20-11-21-18/h5,7,11-13,15H,3-4,6,8-10H2,1-2H3,(H,19,20,21)/t12-,15+/m1/s1
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| InChIKey |
WCEMRCSQVJUUEL-DOMZBBRYSA-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
Protein ID: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT00892, Tyrosine-protein kinase JAK3