General Information of the Compound
| Compound ID |
CP0458347
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| Compound Name |
(6aR,9R)-N-phenyl-9-(piperazine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCNCC1
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| InChI |
InChI=1S/C26H27N5O2/c32-25(30-11-9-27-10-12-30)18-13-21-20-7-4-8-22-24(20)17(15-28-22)14-23(21)31(16-18)26(33)29-19-5-2-1-3-6-19/h1-8,13,15,18,23,27-28H,9-12,14,16H2,(H,29,33)/t18-,23-/m1/s1
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| InChIKey |
VWEZJTHPKBQXNE-WZONZLPQSA-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: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT05171, C-X-C chemokine receptor type 3