General Information of the Compound
| Compound ID |
CP0475632
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| Compound Name |
Allyl-carbamic acid 4-{[(2,3-dihydro-benzofuran-7-carbonyl)-amino]-methyl}-4-phenyl-cyclohexyl ester
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| Formula |
C26H30N2O4
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| Molecular Weight |
434.536
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| Canonical SMILES |
C=CCNC(=O)O[C@H]1CC[C@](CNC(=O)c2cccc3CCOc23)(CC1)c1ccccc1
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| InChI |
InChI=1S/C26H30N2O4/c1-2-16-27-25(30)32-21-11-14-26(15-12-21,20-8-4-3-5-9-20)18-28-24(29)22-10-6-7-19-13-17-31-23(19)22/h2-10,21H,1,11-18H2,(H,27,30)(H,28,29)/t21-,26+
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| InChIKey |
NOZKRCHAOVUCLL-PGCGBBBBSA-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