General Information of the Compound
| Compound ID |
CP0459740
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| Compound Name |
(1S,2S)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C26H28N2O2
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| Molecular Weight |
400.522
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| Canonical SMILES |
CC(C)NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C26H28N2O2/c1-18(2)28-26(29)25-16-24(25)20-11-13-21(14-12-20)27-17-19-7-6-10-23(15-19)30-22-8-4-3-5-9-22/h3-15,18,24-25,27H,16-17H2,1-2H3,(H,28,29)/t24-,25+/m1/s1
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| InChIKey |
VMALULDHNRQKJX-RPBOFIJWSA-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