General Information of the Compound
| Compound ID |
CP0880965
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| Compound Name |
(S)-N'1-(6-Isopropyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-yl)-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C23H25N5S
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| Molecular Weight |
403.555
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| Canonical SMILES |
CC(C)c1cc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2s1
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| InChI |
InChI=1S/C23H25N5S/c1-15(2)20-13-19-22(26-14-18(24)12-16-6-4-3-5-7-16)27-21(28-23(19)29-20)17-8-10-25-11-9-17/h3-11,13,15,18H,12,14,24H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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| InChIKey |
NJPBDVHXZJEHEK-SFHVURJKSA-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