General Information of the Compound
| Compound ID |
CP0956998
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| Compound Name |
(S)-N'1-(7-Ethynyl-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 |
C22H19N5S
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| Molecular Weight |
385.496
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| Canonical SMILES |
C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C22H19N5S/c1-2-16-14-28-20-19(16)26-21(17-8-10-24-11-9-17)27-22(20)25-13-18(23)12-15-6-4-3-5-7-15/h1,3-11,14,18H,12-13,23H2,(H,25,26,27)/t18-/m0/s1
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| InChIKey |
CBJIMMPNBUDJOU-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