General Information of the Compound
| Compound ID |
CP0527042
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| Compound Name |
N-(2-adamantylmethyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-amine
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| Structure |
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| Formula |
C23H32ClFN2
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| Molecular Weight |
390.974
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| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCC(CC1)NCC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C23H32ClFN2/c24-20-2-1-17(23(25)12-20)14-27-5-3-21(4-6-27)26-13-22-18-8-15-7-16(10-18)11-19(22)9-15/h1-2,12,15-16,18-19,21-22,26H,3-11,13-14H2
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| InChIKey |
BXYLEDMNAVGSPU-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