General Information of the Compound
| Compound ID |
CP0404886
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| Compound Name |
N-[(2S)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H24ClN5O2S2
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| Molecular Weight |
466.032
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| Canonical SMILES |
C[C@@H](CN1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1)Nc1ncnc2c(C)csc12
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| InChI |
InChI=1S/C20H24ClN5O2S2/c1-14-12-29-19-18(14)22-13-23-20(19)24-15(2)11-25-6-8-26(9-7-25)30(27,28)17-5-3-4-16(21)10-17/h3-5,10,12-13,15H,6-9,11H2,1-2H3,(H,22,23,24)/t15-/m0/s1
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| InChIKey |
IBFNFMRLJWZZFU-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