General Information of the Compound
| Compound ID |
CP0436504
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| Compound Name |
[(6aR,9R)-7-benzoyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C26H25N3O2
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| Molecular Weight |
411.505
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| Canonical SMILES |
O=C([C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)c1ccccc1)N1CCCC1
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| InChI |
InChI=1S/C26H25N3O2/c30-25(28-11-4-5-12-28)19-13-21-20-9-6-10-22-24(20)18(15-27-22)14-23(21)29(16-19)26(31)17-7-2-1-3-8-17/h1-3,6-10,13,15,19,23,27H,4-5,11-12,14,16H2/t19-,23-/m1/s1
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| InChIKey |
PAACZALAKXZHET-AUSIDOKSSA-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