General Information of the Compound
| Compound ID |
CP0498358
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| Compound Name |
(6aR,9R)-N-benzyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
O=C(NCc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C27H28N4O2/c32-26(30-11-4-5-12-30)20-13-22-21-9-6-10-23-25(21)19(16-28-23)14-24(22)31(17-20)27(33)29-15-18-7-2-1-3-8-18/h1-3,6-10,13,16,20,24,28H,4-5,11-12,14-15,17H2,(H,29,33)/t20-,24-/m1/s1
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| InChIKey |
VECYVIQGOZMSSQ-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