General Information of the Compound
| Compound ID |
CP0912339
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| Compound Name |
5,8-Dibenzyl-14,26-di-sec-butyl-17-(1-hydroxy-1-methyl-ethyl)-20-isobutyl-11,23-diisopropyl-6,12,18-trimethyl-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 |
C59H90N8O11
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| Molecular Weight |
1087.414
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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(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O
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| InChI |
InChI=1S/C59H90N8O11/c1-16-37(9)46-52(70)62-45(35(5)6)51(69)60-41(31-34(3)4)55(73)66(15)49(59(11,12)77)58(76)78-48(38(10)17-2)57(75)65(14)47(36(7)8)53(71)61-42(32-39-25-20-18-21-26-39)54(72)64(13)44(33-40-27-22-19-23-28-40)56(74)67-30-24-29-43(67)50(68)63-46/h18-23,25-28,34-38,41-49,77H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,71)(H,62,70)(H,63,68)/t37-,38-,41-,42-,43-,44-,45-,46-,47-,48+,49+/m0/s1
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| InChIKey |
NYMXEEYDKNDFED-CIVZPHJOSA-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