General Information of the Compound
| Compound ID |
CP0530461
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| Compound Name |
(6aR,9R)-9-(3-oxopiperazine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C26H25N5O3
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| Molecular Weight |
455.518
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| Canonical SMILES |
O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCNC(=O)C1
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| InChI |
InChI=1S/C26H25N5O3/c32-23-15-30(10-9-27-23)25(33)17-11-20-19-7-4-8-21-24(19)16(13-28-21)12-22(20)31(14-17)26(34)29-18-5-2-1-3-6-18/h1-8,11,13,17,22,28H,9-10,12,14-15H2,(H,27,32)(H,29,34)/t17-,22-/m1/s1
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| InChIKey |
JFPNETYIHUFSLD-VGOFRKELSA-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