General Information of the Compound
| Compound ID |
CP0498359
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| Compound Name |
(6aR,9R)-4-(2-morpholin-4-ylethyl)-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 |
C32H37N5O3
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| Molecular Weight |
539.68
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| Canonical SMILES |
O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1cn(CCN3CCOCC3)c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C32H37N5O3/c38-31(35-11-4-5-12-35)24-19-27-26-9-6-10-28-30(26)23(21-36(28)14-13-34-15-17-40-18-16-34)20-29(27)37(22-24)32(39)33-25-7-2-1-3-8-25/h1-3,6-10,19,21,24,29H,4-5,11-18,20,22H2,(H,33,39)/t24-,29-/m1/s1
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| InChIKey |
IKHKEYNSXLJAKJ-FUFSCUOVSA-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