General Information of the Compound
| Compound ID |
CP0239113
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| Compound Name |
(6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
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| Structure |
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| Formula |
C32H32N4O3
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| Molecular Weight |
520.633
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| Canonical SMILES |
COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C32H32N4O3/c1-39-24-13-11-22(12-14-24)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-15-16-34(19-23)18-21-7-3-2-4-8-21/h2-14,23,28,31,33H,15-20H2,1H3/t23-,28-,31-/m1/s1
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| InChIKey |
IXQVSPJASYAWGA-MRLTYDNFSA-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