General Information of the Compound
| Compound ID |
CP0506582
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| Compound Name |
N-(1-adamantylmethyl)-2-chlorobenzamide
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| Structure |
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| Formula |
C18H22ClNO
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| Molecular Weight |
303.833
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| Canonical SMILES |
Clc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H22ClNO/c19-16-4-2-1-3-15(16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
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| InChIKey |
KGXOEHIYVHCAAK-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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