General Information of the Compound
| Compound ID |
CP0384476
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| Compound Name |
(S)-N-(4-(6-(2-(((1-isobutylpyrrolidin-2-yl)methyl)(methyl)amino)-4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C30H33F3N6O2S
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| Molecular Weight |
598.695
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| Canonical SMILES |
CC(C)CN1CCC[C@H]1CN(C)c1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C30H33F3N6O2S/c1-18(2)15-39-12-6-7-21(39)16-38(4)24-13-20(30(31,32)33)10-11-22(24)23-14-27(35-17-34-23)41-25-8-5-9-26-28(25)37-29(42-26)36-19(3)40/h5,8-11,13-14,17-18,21H,6-7,12,15-16H2,1-4H3,(H,36,37,40)/t21-/m0/s1
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| InChIKey |
JYMCZJUIPAODTN-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