General Information of the Compound
| Compound ID |
CP0668570
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| Compound Name |
(R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C26H25F3N6O4
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| Molecular Weight |
542.518
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| Canonical SMILES |
O=C1CN(C2CCN(C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)CC2)C(=O)N1
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| InChI |
InChI=1S/C26H25F3N6O4/c27-26(28,29)15-35-19-9-5-4-8-18(19)21(16-6-2-1-3-7-16)31-22(23(35)37)32-24(38)33-12-10-17(11-13-33)34-14-20(36)30-25(34)39/h1-9,17,22H,10-15H2,(H,32,38)(H,30,36,39)/t22-/m0/s1
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| InChIKey |
YDZHWPQHXAXFIG-QFIPXVFZSA-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