General Information of the Compound
| Compound ID |
CP0436500
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| Compound Name |
(6aR,9R)-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 |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C22H20N4O2/c23-21(27)14-9-17-16-7-4-8-18-20(16)13(11-24-18)10-19(17)26(12-14)22(28)25-15-5-2-1-3-6-15/h1-9,11,14,19,24H,10,12H2,(H2,23,27)(H,25,28)/t14-,19-/m1/s1
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| InChIKey |
UNHPFFHUMWFKAQ-AUUYWEPGSA-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