General Information of the Compound
| Compound ID |
CP0503346
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| Compound Name |
(20S)-[1,4']Bipiperidinyl-1'-carboxylic acid 4-ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester
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| Structure |
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| Formula |
C31H34N4O6
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| Molecular Weight |
558.635
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| Canonical SMILES |
CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCC(CC5)N5CCCCC5)cc4cc3Cn1c2=O
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| InChI |
InChI=1S/C31H34N4O6/c1-2-31(39)24-16-26-27-20(17-35(26)28(36)23(24)18-40-29(31)37)14-19-15-22(6-7-25(19)32-27)41-30(38)34-12-8-21(9-13-34)33-10-4-3-5-11-33/h6-7,14-16,21,39H,2-5,8-13,17-18H2,1H3
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| InChIKey |
KUDUHLYXWIVQRQ-UHFFFAOYSA-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