General Information of the Compound
| Compound ID |
CP0522249
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| Compound Name |
4-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-pyrrolidin-3-ylbenzamide
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| Structure |
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN[C@H]2CCCC[C@@H]2O)cc1
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| InChI |
InChI=1S/C27H37N3O3/c1-33-26-9-5-2-6-21(26)15-17-30(23-14-16-28-19-23)27(32)22-12-10-20(11-13-22)18-29-24-7-3-4-8-25(24)31/h2,5-6,9-13,23-25,28-29,31H,3-4,7-8,14-19H2,1H3/t23?,24-,25-/m0/s1
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| InChIKey |
OAYYCYGDISNPPY-DJHGOXGWSA-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