General Information of the Compound
| Compound ID |
CP0534555
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| Compound Name |
(2R,6S,8E)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
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| Structure |
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| Formula |
C23H31N3O4
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| Molecular Weight |
413.518
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| Canonical SMILES |
CN1CCN(CC1)C(=O)C[C@@H]1C\C=C\CCC(=O)O[C@@H](CNC1=O)c1ccccc1
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| InChI |
InChI=1S/C23H31N3O4/c1-25-12-14-26(15-13-25)21(27)16-19-10-6-3-7-11-22(28)30-20(17-24-23(19)29)18-8-4-2-5-9-18/h2-6,8-9,19-20H,7,10-17H2,1H3,(H,24,29)/b6-3+/t19-,20-/m0/s1
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| InChIKey |
HSBQIJGEOSTLSE-HELANRRESA-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