General Information of the Compound
| Compound ID |
CP0935581
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| Compound Name |
[2-(2-Benzylamino-pyridin-4-yl)-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C22H22N6S
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| Molecular Weight |
402.527
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| Canonical SMILES |
c1ccc(CNc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cc1
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| InChI |
InChI=1S/C22H22N6S/c1-2-4-15(5-3-1)13-25-19-12-16(6-10-24-19)21-27-18-8-11-29-20(18)22(28-21)26-17-7-9-23-14-17/h1-6,8,10-12,17,23H,7,9,13-14H2,(H,24,25)(H,26,27,28)/t17-/m1/s1
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| InChIKey |
UZCIIKBMBWPCPB-QGZVFWFLSA-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