General Information of the Compound
| Compound ID |
CP0384544
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| Compound Name |
(S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C25H21F3N6O3S
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| Molecular Weight |
542.543
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)[C@@H]3CCCN3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C25H21F3N6O3S/c1-13(35)32-24-34-22-19(5-2-6-20(22)38-24)37-21-11-17(30-12-31-21)15-8-7-14(25(26,27)28)10-18(15)33-23(36)16-4-3-9-29-16/h2,5-8,10-12,16,29H,3-4,9H2,1H3,(H,33,36)(H,32,34,35)/t16-/m0/s1
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| InChIKey |
LCDJHHUERIUMFY-INIZCTEOSA-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