General Information of the Compound
| Compound ID |
CP0411742
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| Compound Name |
4-[1-[(3aS,5S,6aR)-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl]piperidin-4-yl]benzoic acid
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| Structure |
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| Formula |
C29H32F3N3O4
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| Molecular Weight |
543.586
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1CCN(CC1)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F3N3O4/c30-29(31,32)22-13-21-17-35(11-7-24(21)33-16-22)27(38)28-8-12-39-25(28)14-23(15-28)34-9-5-19(6-10-34)18-1-3-20(4-2-18)26(36)37/h1-4,13,16,19,23,25H,5-12,14-15,17H2,(H,36,37)/t23-,25-,28-/m1/s1
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| InChIKey |
QTMUIOFRNWYQBV-RGODFAACSA-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
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2