General Information of the Compound
| Compound ID |
CP0880332
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| Compound Name |
Naphthalene-2-carboxylic acid {(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1
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| InChI |
InChI=1S/C27H33N3O2/c1-29(2)15-5-17-32-26-12-8-21(9-13-26)19-30-16-14-25(20-30)28-27(31)24-11-10-22-6-3-4-7-23(22)18-24/h3-4,6-13,18,25H,5,14-17,19-20H2,1-2H3,(H,28,31)/t25-/m0/s1
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| InChIKey |
FADFRYSUFZCBAP-VWLOTQADSA-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