General Information of the Compound
| Compound ID |
CP0575297
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| Compound Name |
(5S,5aS,8R)-7-acetyl-8-benzoyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,6,8,9-tetrahydro-5H-pyrazino[2,1-g][1,7]naphthyridin-11-one
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| Structure |
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| Formula |
C28H25N3O6
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| Molecular Weight |
499.523
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN([C@H](CN2C(=O)c2ncccc12)C(=O)c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C28H25N3O6/c1-16(32)30-13-20-24(18-11-22(35-2)27-23(12-18)36-15-37-27)19-9-6-10-29-25(19)28(34)31(20)14-21(30)26(33)17-7-4-3-5-8-17/h3-12,20-21,24H,13-15H2,1-2H3/t20-,21-,24+/m1/s1
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| InChIKey |
ZWCQDCLBSRYRRO-LGVFNWMJSA-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