General Information of the Compound
| Compound ID |
CP0960901
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| Compound Name |
(E)-3-(5-Fluoro-6-((1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyridin-3-yl)acrylic Acid
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| Structure |
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| Formula |
C24H25F2N3O2
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| Molecular Weight |
425.479
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ncc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C24H25F2N3O2/c1-14-10-17-16-6-4-5-7-19(16)28-21(17)23(29(14)13-24(2,3)26)22-18(25)11-15(12-27-22)8-9-20(30)31/h4-9,11-12,14,23,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t14-,23+/m1/s1
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| InChIKey |
PRBCOKNVYAGTFE-YBWUJAAGSA-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