General Information of the Compound
| Compound ID |
CP0525358
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| Compound Name |
4-(3-bromophenylcarboxamido)-1-(2-methoxyphenylcarboxamidomethyl)-1-phenylcyclohexane
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| Formula |
C28H29BrN2O3
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| Molecular Weight |
521.455
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| Canonical SMILES |
COc1ccccc1C(=O)NC[C@]1(CC[C@@H](CC1)NC(=O)c1cccc(Br)c1)c1ccccc1
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| InChI |
InChI=1S/C28H29BrN2O3/c1-34-25-13-6-5-12-24(25)27(33)30-19-28(21-9-3-2-4-10-21)16-14-23(15-17-28)31-26(32)20-8-7-11-22(29)18-20/h2-13,18,23H,14-17,19H2,1H3,(H,30,33)(H,31,32)/t23-,28+
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| InChIKey |
SSSQYAKZLFCTSR-LMBZAKDXSA-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