General Information of the Compound
| Compound ID |
CP0954719
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| Compound Name |
2-(3-Fluoro-pyridin-4-yl)-N'4-(R)-pyrrolidin-3-yl-N'7-o-tolyl-thieno[3,2-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C22H21FN6S
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| Molecular Weight |
420.517
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| Canonical SMILES |
Cc1ccccc1Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12
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| InChI |
InChI=1S/C22H21FN6S/c1-13-4-2-3-5-17(13)27-18-12-30-20-19(18)28-21(15-7-9-25-11-16(15)23)29-22(20)26-14-6-8-24-10-14/h2-5,7,9,11-12,14,24,27H,6,8,10H2,1H3,(H,26,28,29)/t14-/m1/s1
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| InChIKey |
RQBUKWDSBBDFFT-CQSZACIVSA-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