General Information of the Compound
| Compound ID |
CP0645486
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| Compound Name |
4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantane-1-carboxylic acid 4-(1H-tetrazol-5-yl)-benzylamide
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| Formula |
C29H33ClN6O3
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| Molecular Weight |
549.075
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)NCc1ccc(-c4nnn[nH]4)cc1)(C3)C2
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| InChI |
InChI=1S/C29H33ClN6O3/c1-28(2,39-23-9-7-22(30)8-10-23)26(37)32-24-20-11-18-12-21(24)15-29(13-18,14-20)27(38)31-16-17-3-5-19(6-4-17)25-33-35-36-34-25/h3-10,18,20-21,24H,11-16H2,1-2H3,(H,31,38)(H,32,37)(H,33,34,35,36)/t18?,20?,21?,24-,29-
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| InChIKey |
KGIDONLAXKMIKG-CGNBIZHPSA-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