General Information of the Compound
| Compound ID |
CP0397997
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| Compound Name |
(6aR,9R)-9-(pyrrolidine-1-carbonyl)-N-thiophen-3-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C24H24N4O2S
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| Molecular Weight |
432.549
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| Canonical SMILES |
O=C(Nc1ccsc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C24H24N4O2S/c29-23(27-7-1-2-8-27)16-10-19-18-4-3-5-20-22(18)15(12-25-20)11-21(19)28(13-16)24(30)26-17-6-9-31-14-17/h3-6,9-10,12,14,16,21,25H,1-2,7-8,11,13H2,(H,26,30)/t16-,21-/m1/s1
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| InChIKey |
BDJRXALNVVZVFG-IIBYNOLFSA-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