General Information of the Compound
| Compound ID |
CP0377672
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| Compound Name |
(6aR,9R)-9-(4-acetylpiperazine-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 |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
CC(=O)N1CCN(CC1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C28H29N5O3/c1-18(34)31-10-12-32(13-11-31)27(35)20-14-23-22-8-5-9-24-26(22)19(16-29-24)15-25(23)33(17-20)28(36)30-21-6-3-2-4-7-21/h2-9,14,16,20,25,29H,10-13,15,17H2,1H3,(H,30,36)/t20-,25-/m1/s1
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| InChIKey |
HULSQPGSZSGZBI-CJFMBICVSA-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