General Information of the Compound
| Compound ID |
CP0865032
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| Compound Name |
(S)-N'1-(7-Bromo-6-tert-butyl-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 |
C24H26BrN5S
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| Molecular Weight |
496.478
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| Canonical SMILES |
CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br
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| InChI |
InChI=1S/C24H26BrN5S/c1-24(2,3)21-18(25)19-20(31-21)23(30-22(29-19)16-9-11-27-12-10-16)28-14-17(26)13-15-7-5-4-6-8-15/h4-12,17H,13-14,26H2,1-3H3,(H,28,29,30)/t17-/m0/s1
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| InChIKey |
KTSXAFCIAYFMMA-KRWDZBQOSA-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