General Information of the Compound
| Compound ID |
CP0380675
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| Compound Name |
(6aR,9R)-9-N,9-N-bis(2-methoxyethyl)-7-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7,9-dicarboxamide
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| Structure |
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| Formula |
C28H32N4O4
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| Molecular Weight |
488.588
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| Canonical SMILES |
COCCN(CCOC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C28H32N4O4/c1-35-13-11-31(12-14-36-2)27(33)20-15-23-22-9-6-10-24-26(22)19(17-29-24)16-25(23)32(18-20)28(34)30-21-7-4-3-5-8-21/h3-10,15,17,20,25,29H,11-14,16,18H2,1-2H3,(H,30,34)/t20-,25-/m1/s1
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| InChIKey |
ZWQFKHFUOPFJAH-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: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT05171, C-X-C chemokine receptor type 3