General Information of the Compound
| Compound ID |
CP0439337
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| Compound Name |
cyclopentyl-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C19H27N5O
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| Molecular Weight |
341.459
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| Canonical SMILES |
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCCC1
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| InChI |
InChI=1S/C19H27N5O/c1-13-8-10-24(19(25)14-5-3-4-6-14)11-16(13)23(2)18-15-7-9-20-17(15)21-12-22-18/h7,9,12-14,16H,3-6,8,10-11H2,1-2H3,(H,20,21,22)/t13-,16+/m1/s1
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| InChIKey |
IKJVHXOXTUJMHW-CJNGLKHVSA-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