General Information of the Compound
| Compound ID |
CP0470431
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
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| Structure |
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| Formula |
C18H23Cl2N
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| Molecular Weight |
324.295
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| Canonical SMILES |
CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H23Cl2N/c1-18(2)14-6-5-13(15(18)9-14)11-21(3)10-12-4-7-16(19)17(20)8-12/h4-5,7-8,14-15H,6,9-11H2,1-3H3/t14-,15-/m0/s1
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| InChIKey |
VDKDUEDSYKCIRI-GJZGRUSLSA-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