General Information of the Compound
| Compound ID |
CP0077765
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| Compound Name |
2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(1H-tetrazol-5-ylmethyl)-adamantan-2-yl]-propionamide
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| Formula |
C22H28ClN5O2
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| Molecular Weight |
429.952
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2
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| InChI |
InChI=1S/C22H28ClN5O2/c1-21(2,30-17-5-3-16(23)4-6-17)20(29)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18-25-27-28-26-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,29)(H,25,26,27,28)/t13-,14-,15?,19+,22+/m0/s1
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| InChIKey |
YBVGWBXXKAHRFL-LDTIKURCSA-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