General Information of the Compound
| Compound ID |
CP0850677
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| Compound Name |
(S)-N'1-[7-(2-Methoxy-pyridin-3-yl)-6-methyl-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 |
C27H26N6OS
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| Molecular Weight |
482.613
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| Canonical SMILES |
COc1ncccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C27H26N6OS/c1-17-22(21-9-6-12-30-27(21)34-2)23-24(35-17)26(33-25(32-23)19-10-13-29-14-11-19)31-16-20(28)15-18-7-4-3-5-8-18/h3-14,20H,15-16,28H2,1-2H3,(H,31,32,33)/t20-/m0/s1
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| InChIKey |
KTMSJIOAGANZNE-FQEVSTJZSA-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