General Information of the Compound
| Compound ID |
CP0918227
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| Compound Name |
(S)-N'1-(5-Isobutyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C18H23N5S
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| Molecular Weight |
341.484
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| Canonical SMILES |
CC(C)Cc1csc2nc(-c3ccncc3)nc(NC[C@H](C)N)c12
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| InChI |
InChI=1S/C18H23N5S/c1-11(2)8-14-10-24-18-15(14)17(21-9-12(3)19)22-16(23-18)13-4-6-20-7-5-13/h4-7,10-12H,8-9,19H2,1-3H3,(H,21,22,23)/t12-/m0/s1
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| InChIKey |
RQFMCYYVWLIPQX-LBPRGKRZSA-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