General Information of the Compound
| Compound ID |
CP0527046
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| Compound Name |
4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C22H29ClFN3O
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| Molecular Weight |
405.945
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| Canonical SMILES |
Fc1cc(Cl)ccc1NC(=O)N1CCC(CC1)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C22H29ClFN3O/c23-17-1-2-20(19(24)12-17)26-22(28)27-5-3-18(4-6-27)25-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-2,12-16,18,21,25H,3-11H2,(H,26,28)
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| InChIKey |
HAHVJZYYIZLSRB-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