General Information of the Compound
| Compound ID |
CP0866633
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| Compound Name |
(4S,7S,10S,13S,16S)-16-acetamido-10-benzyl-7-(2-carboxyethyl)-4-((6-chloro-1H-indol-3-yl)methyl)-13-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-2,5,8,11,14-pentaazanonadecan-19-oic acid
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| Structure |
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| Formula |
C42H48ClN7O11
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| Molecular Weight |
862.337
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| Canonical SMILES |
CNC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(C)=O
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| InChI |
InChI=1S/C42H48ClN7O11/c1-23(51)46-30(14-16-36(53)54)39(58)48-34(19-25-8-11-28(52)12-9-25)42(61)49-33(18-24-6-4-3-5-7-24)41(60)47-31(15-17-37(55)56)40(59)50-35(38(57)44-2)20-26-22-45-32-21-27(43)10-13-29(26)32/h3-13,21-22,30-31,33-35,45,52H,14-20H2,1-2H3,(H,44,57)(H,46,51)(H,47,60)(H,48,58)(H,49,61)(H,50,59)(H,53,54)(H,55,56)/t30-,31-,33-,34-,35-/m0/s1
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| InChIKey |
WMONGZZNPFWCEF-QESHTYSYSA-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