General Information of the Compound
| Compound ID |
CP0947492
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| Compound Name |
Cyclopropanecarboxylic acid{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
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| Structure |
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| Formula |
C19H20N6OS
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| Molecular Weight |
380.477
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| Canonical SMILES |
O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)C1CC1
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| InChI |
InChI=1S/C19H20N6OS/c26-19(11-1-2-11)24-15-9-12(3-7-21-15)17-23-14-5-8-27-16(14)18(25-17)22-13-4-6-20-10-13/h3,5,7-9,11,13,20H,1-2,4,6,10H2,(H,21,24,26)(H,22,23,25)/t13-/m1/s1
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| InChIKey |
MXBLYRATERLGDV-CYBMUJFWSA-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