General Information of the Compound
| Compound ID |
CP0115542
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| Compound Name |
4-amino-N-[1-(4-chlorophenyl)-2-phenylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C26H27ClN6O
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| Molecular Weight |
474.996
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| Canonical SMILES |
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cc1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H27ClN6O/c27-20-8-6-19(7-9-20)22(16-18-4-2-1-3-5-18)32-25(34)26(28)11-14-33(15-12-26)24-21-10-13-29-23(21)30-17-31-24/h1-10,13,17,22H,11-12,14-16,28H2,(H,32,34)(H,29,30,31)
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| InChIKey |
QGYPCOPTJYNXJQ-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