General Information of the Compound
| Compound ID |
CP0384808
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| Compound Name |
N-[(1R,2R)-6-[1-[(4-fluorophenyl)methyl-methylamino]ethylideneamino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide
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| Formula |
C27H28FN3O3
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| Molecular Weight |
461.537
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N[C@H]1[C@H](O)Cc2ccc(cc12)\N=C(/C)N(C)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C27H28FN3O3/c1-17(31(2)16-18-4-9-21(28)10-5-18)29-22-11-6-20-14-25(32)26(24(20)15-22)30-27(33)19-7-12-23(34-3)13-8-19/h4-13,15,25-26,32H,14,16H2,1-3H3,(H,30,33)/b29-17+/t25-,26-/m1/s1
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| InChIKey |
VUHFTOXCJSJPEQ-WIVNOQECSA-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