General Information of the Compound
| Compound ID |
CP0930903
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| Compound Name |
5,8-Dibenzyl-14,26-di-sec-butyl-17-(2-hydroxy-1-methyl-ethyl)-20-isobutyl-11,23-diisopropyl-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](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@H]([C@H](C)CO)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/c1-16-38(9)47-58(76)65(13)48(36(5)6)53(71)61-43(31-35(3)4)56(74)67(15)50(40(11)34-69)60(78)79-51(39(10)17-2)59(77)66(14)49(37(7)8)54(72)62-44(32-41-25-20-18-21-26-41)55(73)64(12)46(33-42-27-22-19-23-28-42)57(75)68-30-24-29-45(68)52(70)63-47/h18-23,25-28,35-40,43-51,69H,16-17,24,29-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,51+/m0/s1
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| InChIKey |
UYMZQZSAAAVOHF-SDVDAVRTSA-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