General Information of the Compound
| Compound ID |
CP0505312
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| Compound Name |
(6aR,9R)-N-(2-methoxyphenyl)-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 |
C27H28N4O3
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| Molecular Weight |
456.546
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| Canonical SMILES |
COc1ccccc1NC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C27H28N4O3/c1-34-24-10-3-2-8-21(24)29-27(33)31-16-18(26(32)30-11-4-5-12-30)13-20-19-7-6-9-22-25(19)17(15-28-22)14-23(20)31/h2-3,6-10,13,15,18,23,28H,4-5,11-12,14,16H2,1H3,(H,29,33)/t18-,23-/m1/s1
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| InChIKey |
DYOYHTDBFOQTSF-WZONZLPQSA-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