General Information of the Compound
| Compound ID |
CP0342761
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| Compound Name |
(6aR,9R)-9-(4-hydroxypiperidine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C27H28N4O3
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| Molecular Weight |
456.546
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| Canonical SMILES |
OC1CCN(CC1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C27H28N4O3/c32-20-9-11-30(12-10-20)26(33)18-13-22-21-7-4-8-23-25(21)17(15-28-23)14-24(22)31(16-18)27(34)29-19-5-2-1-3-6-19/h1-8,13,15,18,20,24,28,32H,9-12,14,16H2,(H,29,34)/t18-,24-/m1/s1
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| InChIKey |
CAOVBFVVCXSCPJ-HOYKHHGWSA-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