General Information of the Compound
| Compound ID |
CP0377675
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| Compound Name |
(6aR,9R)-N-cyclopentyl-9-(pyrrolidine-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 |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
O=C(NC1CCCC1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C25H30N4O2/c30-24(28-10-3-4-11-28)17-12-20-19-8-5-9-21-23(19)16(14-26-21)13-22(20)29(15-17)25(31)27-18-6-1-2-7-18/h5,8-9,12,14,17-18,22,26H,1-4,6-7,10-11,13,15H2,(H,27,31)/t17-,22-/m1/s1
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| InChIKey |
WTAYQRJTVWIWEB-VGOFRKELSA-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