General Information of the Compound
| Compound ID |
CP0556902
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| Compound Name |
CHEMBL3091664
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| Formula |
C23H26BrNO4
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| Molecular Weight |
460.368
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| Canonical SMILES |
[Br-].C[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H26NO4.BrH/c1-24(2)18-13-17(14-19(24)21-20(18)28-21)27-22(25)23(26,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17-21,26H,13-14H2,1-2H3;1H/q+1;/p-1/t17-,18+,19-,20+,21-;
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| InChIKey |
KIZQHZCIECZBKQ-JNSIGTBNSA-M
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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