General Information of the Compound
| Compound ID |
CP0967312
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| Compound Name |
(R)-4-Methyl-N'1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-pentane-1,2-diamine
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| Structure |
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| Formula |
C21H27N5S
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| Molecular Weight |
381.549
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| Canonical SMILES |
CC(C)C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C21H27N5S/c1-13(2)11-15(22)12-24-20-18-16-5-3-4-6-17(16)27-21(18)26-19(25-20)14-7-9-23-10-8-14/h7-10,13,15H,3-6,11-12,22H2,1-2H3,(H,24,25,26)/t15-/m1/s1
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| InChIKey |
GAWOTTYOWRROJP-OAHLLOKOSA-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