General Information of the Compound
| Compound ID |
CP0866644
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| Compound Name |
(4S,7S,10S,13S,16S)-16-acetamido-10-benzyl-7-(2-carboxyethyl)-13-(4-hydroxybenzyl)-4-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-2,5,8,11,14-pentaazaoctadecan-18-oic acid
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| Structure |
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| Formula |
C43H48N6O11
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| Molecular Weight |
824.888
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O
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| InChI |
InChI=1S/C43H48N6O11/c1-25(50)45-36(24-38(54)55)43(60)49-35(22-27-13-16-31(51)17-14-27)42(59)48-34(21-26-8-4-3-5-9-26)41(58)46-32(18-19-37(52)53)40(57)47-33(39(56)44-2)23-28-12-15-29-10-6-7-11-30(29)20-28/h3-17,20,32-36,51H,18-19,21-24H2,1-2H3,(H,44,56)(H,45,50)(H,46,58)(H,47,57)(H,48,59)(H,49,60)(H,52,53)(H,54,55)/t32-,33-,34-,35-,36-/m0/s1
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| InChIKey |
YHSYGEUXRGUJMP-XYPUQJIVSA-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