General Information of the Compound
| Compound ID |
CP0010931
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| Compound Name |
4-[(2S)-2-(5-chloro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C22H15ClN8O
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| Molecular Weight |
442.87
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| Canonical SMILES |
Clc1ccn2nc([C@@H]3CCN3c3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C22H15ClN8O/c23-15-6-9-30-18(15)22(32)31(14-4-2-1-3-5-14)20(28-30)16-7-8-29(16)21-17-13(10-24)11-25-19(17)26-12-27-21/h1-6,9,11-12,16H,7-8H2,(H,25,26,27)/t16-/m0/s1
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| InChIKey |
LNFWSNQWRMMEBJ-INIZCTEOSA-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