General Information of the Compound
| Compound ID |
CP0880818
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| Compound Name |
21',24'-dibenzyl-3',15'-di(sec-butyl)-9'-isobutyl-6',18'-diisopropyl-3,3,5',11',17',23'-hexamethylspiro[dihydrooxirane-2,12'-perhydropyrrolo[1,2-m][1,4,7,10,13,16,19,22,25]oxaoctaazacycloheptacosine]-1',4',7',10',13',16',19',22',25'-nonaone
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| Structure |
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| Formula |
C60H90N8O11
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| Molecular Weight |
1099.425
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@]2(OC2(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
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| InChI |
InChI=1S/C60H90N8O11/c1-17-38(9)46-56(75)65(14)47(36(5)6)51(70)61-42(32-35(3)4)54(73)67(16)60(59(11,12)79-60)58(77)78-49(39(10)18-2)57(76)66(15)48(37(7)8)52(71)62-43(33-40-26-21-19-22-27-40)53(72)64(13)45(34-41-28-23-20-24-29-41)55(74)68-31-25-30-44(68)50(69)63-46/h19-24,26-29,35-39,42-49H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49+,60+/m0/s1
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| InChIKey |
LRSXSOZGLLCGJC-RZUPRHLQSA-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