General Information of the Compound
| Compound ID |
CP0461225
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| Compound Name |
N-[4-[2-[[1-(2-methylpropyl)piperidin-2-yl]methylamino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-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)CN1CCCCC1CNc1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H33F3N6O2S/c1-18(2)17-39-14-5-4-7-22(39)16-34-28-36-23(20-10-12-21(13-11-20)30(31,32)33)15-26(37-28)41-24-8-6-9-25-27(24)38-29(42-25)35-19(3)40/h6,8-13,15,18,22H,4-5,7,14,16-17H2,1-3H3,(H,34,36,37)(H,35,38,40)
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| InChIKey |
OYFNKNKHBNWRMV-UHFFFAOYSA-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