General Information of the Compound
| Compound ID |
CP0013026
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| Compound Name |
3-{5-[4-(2-Hydroxy-2-methyl-propionyl)-piperazin-1-yl]-2-trifluoromethyl-phenyl}-4-(1H-indol-3-yl)-pyrrole-2,5-dione
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| Structure |
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| Formula |
C27H25F3N4O4
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| Molecular Weight |
526.515
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| Canonical SMILES |
CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
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| InChIKey |
CLGRAWDGLMENOD-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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