General Information of the Compound
| Compound ID |
CP0210742
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| Compound Name |
2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-3-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H27ClF3N5O5
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| Molecular Weight |
581.979
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| Canonical SMILES |
CN1CCN(CC1)C(=O)[C@@H](COCc1cnc(C)o1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C26H27ClF3N5O5/c1-16-32-13-18(39-16)14-38-15-21(25(37)35-10-8-34(2)9-11-35)33-23(36)19-4-3-7-31-24(19)40-22-6-5-17(12-20(22)27)26(28,29)30/h3-7,12-13,21H,8-11,14-15H2,1-2H3,(H,33,36)/t21-/m1/s1
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| InChIKey |
PBCZOAJIAODBER-OAQYLSRUSA-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