General Information of the Compound
| Compound ID |
CP0866832
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| Compound Name |
3-Methoxy-N-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-benzamide
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| Structure |
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| Formula |
C23H22N6O2S
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| Molecular Weight |
446.536
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| Canonical SMILES |
COc1cccc(C(=O)Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)c1
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| InChI |
InChI=1S/C23H22N6O2S/c1-31-17-4-2-3-15(11-17)23(30)28-19-12-14(5-9-25-19)21-27-18-7-10-32-20(18)22(29-21)26-16-6-8-24-13-16/h2-5,7,9-12,16,24H,6,8,13H2,1H3,(H,25,28,30)(H,26,27,29)/t16-/m1/s1
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| InChIKey |
HAVCMPJFCGPNOC-MRXNPFEDSA-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