General Information of the Compound
| Compound ID |
CP0902306
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| Compound Name |
Thiophene-2-carboxylic acid{4-[4-((3S,4S)-4-hydroxy-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
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| Structure |
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| Formula |
C20H18N6O2S2
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| Molecular Weight |
438.538
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| Canonical SMILES |
O=C(Nc1cc(-c2nc(N[C@H]3CNC[C@@H]3O)c3sccc3n2)ccn1)c1cccs1
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| InChI |
InChI=1S/C20H18N6O2S2/c27-14-10-21-9-13(14)24-19-17-12(4-7-30-17)23-18(26-19)11-3-5-22-16(8-11)25-20(28)15-2-1-6-29-15/h1-8,13-14,21,27H,9-10H2,(H,22,25,28)(H,23,24,26)/t13-,14-/m0/s1
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| InChIKey |
PANQXVXSWCKSOI-KBPBESRZSA-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