General Information of the Compound
| Compound ID |
CP0403071
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| Compound Name |
(S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-2-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C26H23F3N6O3S
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| Molecular Weight |
556.57
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)[C@]3(C)CCCN3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C26H23F3N6O3S/c1-14(36)33-24-35-22-19(5-3-6-20(22)39-24)38-21-12-17(30-13-31-21)16-8-7-15(26(27,28)29)11-18(16)34-23(37)25(2)9-4-10-32-25/h3,5-8,11-13,32H,4,9-10H2,1-2H3,(H,34,37)(H,33,35,36)/t25-/m0/s1
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| InChIKey |
RXZDTVAKCXFKIB-VWLOTQADSA-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