General Information of the Compound
| Compound ID |
CP0422342
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| Compound Name |
(R)-N-(4-(6-(2-((1-isobutylpyrrolidin-2-yl)methylamino)-4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C29H31F3N6O2S
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| Molecular Weight |
584.668
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| Canonical SMILES |
CC(C)CN1CCC[C@@H]1CNc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C29H31F3N6O2S/c1-17(2)15-38-11-5-6-20(38)14-33-22-12-19(29(30,31)32)9-10-21(22)23-13-26(35-16-34-23)40-24-7-4-8-25-27(24)37-28(41-25)36-18(3)39/h4,7-10,12-13,16-17,20,33H,5-6,11,14-15H2,1-3H3,(H,36,37,39)/t20-/m1/s1
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| InChIKey |
OODDPMGIOVRMDS-HXUWFJFHSA-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