General Information of the Compound
| Compound ID |
CP0440847
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| Compound Name |
N-[(2S)-1-(4-butylsulfonylpiperazin-1-yl)propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H29N5O2S2
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| Molecular Weight |
411.597
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| Canonical SMILES |
CCCCS(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1
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| InChI |
InChI=1S/C18H29N5O2S2/c1-4-5-10-27(24,25)23-8-6-22(7-9-23)11-15(3)21-18-17-16(19-13-20-18)14(2)12-26-17/h12-13,15H,4-11H2,1-3H3,(H,19,20,21)/t15-/m0/s1
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| InChIKey |
YTWQKHQJTROKAZ-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