General Information of the Compound
| Compound ID |
CP0951456
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| Compound Name |
(R)-N'1-(7-Bromo-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 |
C21H20BrN5S
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| Molecular Weight |
454.397
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| Canonical SMILES |
Cc1sc2c(NC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br
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| InChI |
InChI=1S/C21H20BrN5S/c1-13-17(22)18-19(28-13)21(27-20(26-18)15-7-9-24-10-8-15)25-12-16(23)11-14-5-3-2-4-6-14/h2-10,16H,11-12,23H2,1H3,(H,25,26,27)/t16-/m1/s1
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| InChIKey |
WLVCVEDCEFLAPC-MRXNPFEDSA-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