General Information of the Compound
| Compound ID |
CP0704323
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| Compound Name |
4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantane-1-carboxylic acid carbamoylmethyl-amide
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| Formula |
C23H30ClN3O4
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| Molecular Weight |
447.963
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)NCC(N)=O)(C3)C2
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| InChI |
InChI=1S/C23H30ClN3O4/c1-22(2,31-17-5-3-16(24)4-6-17)20(29)27-19-14-7-13-8-15(19)11-23(9-13,10-14)21(30)26-12-18(25)28/h3-6,13-15,19H,7-12H2,1-2H3,(H2,25,28)(H,26,30)(H,27,29)/t13?,14?,15?,19-,23-
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| InChIKey |
XFHOFUPMDXTOPP-JWAOMMGVSA-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