General Information of the Compound
| Compound ID |
CP0425614
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| Compound Name |
22-bromo-16-(hydroxymethyl)-3-oxo-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaene-10-carbaldehyde
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| Structure |
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| Formula |
C25H18BrN3O3
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| Molecular Weight |
488.341
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| Canonical SMILES |
OCC1Cn2c3ccc(C=O)cc3c3c4CNC(=O)c4c4c5cc(Br)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C25H18BrN3O3/c26-14-2-4-19-16(6-14)21-22-17(7-27-25(22)32)20-15-5-12(10-30)1-3-18(15)28-8-13(11-31)9-29(19)24(21)23(20)28/h1-6,10,13,31H,7-9,11H2,(H,27,32)
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| InChIKey |
AXLOGRDFIXPWFY-UHFFFAOYSA-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