General Information of the Compound
| Compound ID |
CP0866457
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| Compound Name |
(S)-N'1-[6-Methyl-7-(2-methyl-pyridin-3-yl)-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 |
C27H26N6S
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| Molecular Weight |
466.614
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| Canonical SMILES |
Cc1ncccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C27H26N6S/c1-17-22(9-6-12-30-17)23-18(2)34-25-24(23)32-26(20-10-13-29-14-11-20)33-27(25)31-16-21(28)15-19-7-4-3-5-8-19/h3-14,21H,15-16,28H2,1-2H3,(H,31,32,33)/t21-/m0/s1
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| InChIKey |
OKXROHBIUZHUFK-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