General Information of the Compound
| Compound ID |
CP0493962
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| Compound Name |
1-[(6aR,9R)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-7-yl]-2-phenylethanone
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
O=C(Cc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C27H27N3O2/c31-25(13-18-7-2-1-3-8-18)30-17-20(27(32)29-11-4-5-12-29)14-22-21-9-6-10-23-26(21)19(16-28-23)15-24(22)30/h1-3,6-10,14,16,20,24,28H,4-5,11-13,15,17H2/t20-,24-/m1/s1
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| InChIKey |
QIURDPYFISLLQL-HYBUGGRVSA-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