General Information of the Compound
| Compound ID |
CP0435071
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| Compound Name |
1-[[4-(dimethylamino)phenyl]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 |
C24H39N3
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| Molecular Weight |
369.597
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| Canonical SMILES |
CN(C)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1
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| InChI |
InChI=1S/C24H39N3/c1-23(2)19-10-13-24(23,3)22(16-19)25-20-11-14-27(15-12-20)17-18-6-8-21(9-7-18)26(4)5/h6-9,19-20,22,25H,10-17H2,1-5H3/t19-,22-,24+/m1/s1
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| InChIKey |
YIPNKKSJZLSJCZ-CKUXNOBLSA-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