General Information of the Compound
| Compound ID |
CP0145047
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| Compound Name |
N-(1-adamantylmethyl)-2-methyl-5-(9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)benzamide
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
Cc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)N1CC2CNCC(C1)O2
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| InChI |
InChI=1S/C26H35N3O3/c1-16-2-3-20(25(31)29-13-21-11-27-12-22(14-29)32-21)7-23(16)24(30)28-15-26-8-17-4-18(9-26)6-19(5-17)10-26/h2-3,7,17-19,21-22,27H,4-6,8-15H2,1H3,(H,28,30)
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| InChIKey |
ZXXHOPIILTVLIT-UHFFFAOYSA-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