General Information of the Compound
| Compound ID |
CP0565040
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| Compound Name |
(1S,7Z,10S,16E,21R)-7-ethylidene-21-propan-2-yl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
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| Structure |
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| Formula |
C21H30N4O6S2
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| Molecular Weight |
498.627
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| Canonical SMILES |
C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)CNC1=O
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| InChI |
InChI=1S/C21H30N4O6S2/c1-4-14-19(28)22-10-17(27)31-13-7-5-6-8-32-33-11-15(20(29)23-14)24-21(30)18(12(2)3)25-16(26)9-13/h4-5,7,12-13,15,18H,6,8-11H2,1-3H3,(H,22,28)(H,23,29)(H,24,30)(H,25,26)/b7-5+,14-4-/t13-,15-,18-/m1/s1
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| InChIKey |
MFWNOZKIKREYBG-WXWWPAJNSA-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