General Information of the Compound
| Compound ID |
CP0065817
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| Compound Name |
N-[2-acetamido-1-(4-chlorophenyl)ethyl]-4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C22H26ClN7O2
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| Molecular Weight |
455.95
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| Canonical SMILES |
CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)
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| InChIKey |
TWNSSIKWSGKQOP-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