General Information of the Compound
| Compound ID |
CP0474323
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| Compound Name |
(6aR,9R)-4-(2-hydroxyethyl)-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
OCCn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C28H30N4O3/c33-14-13-31-17-19-16-25-23(22-9-6-10-24(31)26(19)22)15-20(27(34)30-11-4-5-12-30)18-32(25)28(35)29-21-7-2-1-3-8-21/h1-3,6-10,15,17,20,25,33H,4-5,11-14,16,18H2,(H,29,35)/t20-,25-/m1/s1
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| InChIKey |
JLYWDONWNIMGQM-CJFMBICVSA-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: PT05171, C-X-C chemokine receptor type 3
Protein ID: PT03433, C-X-C chemokine receptor type 3