General Information of the Compound
| Compound ID |
CP0481727
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| Compound Name |
N-(1-adamantylmethyl)-2,4-dichlorobenzamide
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| Structure |
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| Formula |
C18H21Cl2NO
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| Molecular Weight |
338.278
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| Canonical SMILES |
Clc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)c1
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| InChI |
InChI=1S/C18H21Cl2NO/c19-14-1-2-15(16(20)6-14)17(22)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22)
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| InChIKey |
HMKDYGNZZSWEJB-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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