General Information of the Compound
| Compound ID |
CP0534311
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| Compound Name |
(3S,11S,11aS)-2-acetyl-3-benzyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b][2,7]naphthyridin-6-one
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| Structure |
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| Formula |
C28H27N3O5
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| Molecular Weight |
485.54
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN([C@@H](Cc3ccccc3)CN2C(=O)c2cnccc12)C(C)=O
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| InChI |
InChI=1S/C28H27N3O5/c1-17(32)30-15-23-26(19-11-24(34-2)27-25(12-19)35-16-36-27)21-8-9-29-13-22(21)28(33)31(23)14-20(30)10-18-6-4-3-5-7-18/h3-9,11-13,20,23,26H,10,14-16H2,1-2H3/t20-,23+,26-/m0/s1
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| InChIKey |
QBZFFXJETSYRQF-CLLDFNAGSA-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