General Information of the Compound
| Compound ID |
CP0954838
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| Compound Name |
(S)-N'1-[7-(2-Cyclopropyl-ethyl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C25H27N5S
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| Molecular Weight |
429.593
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(CCC3CC3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C25H27N5S/c26-21(14-18-4-2-1-3-5-18)15-28-25-23-22(20(16-31-23)9-8-17-6-7-17)29-24(30-25)19-10-12-27-13-11-19/h1-5,10-13,16-17,21H,6-9,14-15,26H2,(H,28,29,30)/t21-/m0/s1
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| InChIKey |
LSEPDXVJQNMQQY-NRFANRHFSA-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