General Information of the Compound
| Compound ID |
CP0866831
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| Compound Name |
(S)-Tetrahydro-furan-2-carboxylic 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 |
C20H22N6O2S
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| Molecular Weight |
410.503
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| Canonical SMILES |
O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)[C@@H]1CCCO1
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| InChI |
InChI=1S/C20H22N6O2S/c27-20(15-2-1-8-28-15)25-16-10-12(3-7-22-16)18-24-14-5-9-29-17(14)19(26-18)23-13-4-6-21-11-13/h3,5,7,9-10,13,15,21H,1-2,4,6,8,11H2,(H,22,25,27)(H,23,24,26)/t13-,15+/m1/s1
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| InChIKey |
VBTINMVLNUOXED-HIFRSBDPSA-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