General Information of the Compound
| Compound ID |
CP0954697
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| Compound Name |
(S)-3-Methyl-1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxymethyl)-butylamine
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| Structure |
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| Formula |
C21H26N4OS
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| Molecular Weight |
382.533
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| Canonical SMILES |
CC(C)C[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C21H26N4OS/c1-13(2)11-15(22)12-26-20-18-16-5-3-4-6-17(16)27-21(18)25-19(24-20)14-7-9-23-10-8-14/h7-10,13,15H,3-6,11-12,22H2,1-2H3/t15-/m0/s1
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| InChIKey |
OIUYLSBRYNCHSV-HNNXBMFYSA-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