General Information of the Compound
| Compound ID |
CP0491258
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| Compound Name |
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide
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| Structure |
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| Formula |
C35H39F3N4O4
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| Molecular Weight |
636.715
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(cc2)C(F)(F)F)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C35H39F3N4O4/c1-22-17-42(23(2)21-43)34(45)29-16-27(39-33(44)15-25-19-41(4)30-8-6-5-7-28(25)30)13-14-31(29)46-32(22)20-40(3)18-24-9-11-26(12-10-24)35(36,37)38/h5-14,16,19,22-23,32,43H,15,17-18,20-21H2,1-4H3,(H,39,44)/t22-,23-,32+/m1/s1
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| InChIKey |
CMAOMNSLQLVSHG-PQDHALMWSA-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