General Information of the Compound
| Compound ID |
CP0461199
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| Compound Name |
(6aR,9R)-4-benzyl-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide
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| Structure |
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| Formula |
C33H34N4O2
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| Molecular Weight |
518.661
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(Cc4ccccc4)c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C33H34N4O2/c1-3-35(4-2)32(38)25-18-28-27-16-11-17-29-31(27)24(21-36(29)20-23-12-7-5-8-13-23)19-30(28)37(22-25)33(39)34-26-14-9-6-10-15-26/h5-18,21,25,30H,3-4,19-20,22H2,1-2H3,(H,34,39)/t25-,30-/m1/s1
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| InChIKey |
NRKBJOURIBYOTP-FYBSXPHGSA-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