General Information of the Compound
| Compound ID |
CP0389601
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| Compound Name |
N-(2-aminophenyl)-3-[[[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]methyl]benzamide
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| Structure |
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| Formula |
C34H35N3O6
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| Molecular Weight |
581.669
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| Canonical SMILES |
COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
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| InChI |
InChI=1S/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/m0/s1
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| InChIKey |
XIBREIKGGKRRBU-SANMLTNESA-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