General Information of the Compound
| Compound ID |
CP0156043
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| Compound Name |
4-amino-N-(1-phenylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H24N6O
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| Molecular Weight |
364.453
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| Canonical SMILES |
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1
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| InChI |
InChI=1S/C20H24N6O/c1-14(15-5-3-2-4-6-15)25-19(27)20(21)8-11-26(12-9-20)18-16-7-10-22-17(16)23-13-24-18/h2-7,10,13-14H,8-9,11-12,21H2,1H3,(H,25,27)(H,22,23,24)
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| InChIKey |
YNLYLPHADLWJIV-UHFFFAOYSA-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