General Information of the Compound
| Compound ID |
CP0543935
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| Compound Name |
(3R,11S,11aS)-3-benzoyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4,11,11a-hexahydropyrazino[1,2-b][2,6]naphthyridin-6-one
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| Structure |
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| Formula |
C26H23N3O5
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| Molecular Weight |
457.486
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN[C@H](CN2C(=O)c2ccncc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H23N3O5/c1-32-21-9-16(10-22-25(21)34-14-33-22)23-18-11-27-8-7-17(18)26(31)29-13-19(28-12-20(23)29)24(30)15-5-3-2-4-6-15/h2-11,19-20,23,28H,12-14H2,1H3/t19-,20-,23+/m1/s1
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| InChIKey |
DPBAYUINKCYTAM-VIZSFHNOSA-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