General Information of the Compound
| Compound ID |
CP0860303
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| Compound Name |
8-Benzyl-14,26-di-sec-butyl-5-(hydroxy-phenyl-methyl)-20-isobutyl-11,17,23-triisopropyl-6,12,18,24-tetramethyl-octadecahydro-15-oxa-3a,6,9,12,18,21,24,27-octaaza-cyclopentacycloheptacosene-4,7,10,13,16,19,22,25,28-nonaone
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| Structure |
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| Formula |
C60H92N8O11
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| Molecular Weight |
1101.441
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](O)c2ccccc2)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@H](C(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/C60H92N8O11/c1-17-38(11)45-57(75)64(13)46(35(5)6)53(71)61-42(32-34(3)4)55(73)66(15)48(37(9)10)60(78)79-51(39(12)18-2)59(77)65(14)47(36(7)8)54(72)62-43(33-40-26-21-19-22-27-40)56(74)67(16)49(50(69)41-28-23-20-24-29-41)58(76)68-31-25-30-44(68)52(70)63-45/h19-24,26-29,34-39,42-51,69H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+/m0/s1
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| InChIKey |
FREXYXXOYJEUAY-NAXKUPTJSA-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