General Information of the Compound
| Compound ID |
CP0155918
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| Compound Name |
4-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C22H25ClN6O
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| Molecular Weight |
424.936
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| Canonical SMILES |
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H25ClN6O/c23-16-5-3-15(4-6-16)18(14-1-2-14)28-21(30)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-13-27-20/h3-7,10,13-14,18H,1-2,8-9,11-12,24H2,(H,28,30)(H,25,26,27)
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| InChIKey |
BMNSOVCKJXEHNM-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