General Information of the Compound
| Compound ID |
CP0954706
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| Compound Name |
(R)-3-Naphthalen-1-yl-N'1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C28H27N5S
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| Molecular Weight |
465.626
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| Canonical SMILES |
N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc2ccccc12
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| InChI |
InChI=1S/C28H27N5S/c29-21(16-20-8-5-7-18-6-1-2-9-22(18)20)17-31-27-25-23-10-3-4-11-24(23)34-28(25)33-26(32-27)19-12-14-30-15-13-19/h1-2,5-9,12-15,21H,3-4,10-11,16-17,29H2,(H,31,32,33)/t21-/m1/s1
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| InChIKey |
MYJNNRAYZISGDD-OAQYLSRUSA-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