General Information of the Compound
| Compound ID |
CP0574393
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| Compound Name |
(5S,5aS,8S)-5-(7-methoxy-1,3-benzodioxol-5-yl)-8-(1-phenylethenyl)-5,5a,6,7,8,9-hexahydropyrazino[2,1-g][1,7]naphthyridin-11-one
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| Structure |
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| Formula |
C27H25N3O4
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| Molecular Weight |
455.514
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN[C@H](CN2C(=O)c2ncccc12)C(=C)c1ccccc1
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| InChI |
InChI=1S/C27H25N3O4/c1-16(17-7-4-3-5-8-17)20-14-30-21(13-29-20)24(19-9-6-10-28-25(19)27(30)31)18-11-22(32-2)26-23(12-18)33-15-34-26/h3-12,20-21,24,29H,1,13-15H2,2H3/t20-,21-,24+/m1/s1
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| InChIKey |
PEZYVERQODPIGD-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