General Information of the Compound
| Compound ID |
CP0468470
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| Compound Name |
4-bromo-N-[(1R,2R)-2-hydroxy-6-[[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]amino]-2,3-dihydro-1H-inden-1-yl]benzamide
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| Structure |
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| Formula |
C26H26BrN3O3
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| Molecular Weight |
508.416
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| Canonical SMILES |
COc1ccccc1CN\C(C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1
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| InChI |
InChI=1S/C26H26BrN3O3/c1-16(28-15-19-5-3-4-6-24(19)33-2)29-21-12-9-18-13-23(31)25(22(18)14-21)30-26(32)17-7-10-20(27)11-8-17/h3-12,14,23,25,31H,13,15H2,1-2H3,(H,28,29)(H,30,32)/t23-,25-/m1/s1
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| InChIKey |
NKFACVAYGRCZLM-ILBGXUMGSA-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