General Information of the Compound
| Compound ID |
CP0526624
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| Compound Name |
1-[(2,4-difluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
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| Structure |
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| Formula |
C22H32F2N2
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| Molecular Weight |
362.508
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC1CCN(Cc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C22H32F2N2/c1-21(2)16-6-9-22(21,3)20(12-16)25-18-7-10-26(11-8-18)14-15-4-5-17(23)13-19(15)24/h4-5,13,16,18,20,25H,6-12,14H2,1-3H3/t16-,20-,22+/m1/s1
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| InChIKey |
VCOOTZBAKHCZJY-CNDZOEFASA-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