General Information of the Compound
| Compound ID |
CP0860223
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| Compound Name |
(4R,7S,10S,13S,16S)-4-((1H-indol-3-yl)methyl)-16-acetamido-10-benzyl-7-(2-carboxyethyl)-13-(4-hydroxybenzyl)-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 |
C41H47N7O11
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| Molecular Weight |
813.865
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| Canonical SMILES |
CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)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/C41H47N7O11/c1-23(49)44-34(21-36(53)54)41(59)47-32(19-25-12-14-27(50)15-13-25)40(58)46-31(18-24-8-4-3-5-9-24)39(57)45-30(16-17-35(51)52)38(56)48-33(37(55)42-2)20-26-22-43-29-11-7-6-10-28(26)29/h3-15,22,30-34,43,50H,16-21H2,1-2H3,(H,42,55)(H,44,49)(H,45,57)(H,46,58)(H,47,59)(H,48,56)(H,51,52)(H,53,54)/t30-,31-,32-,33+,34-/m0/s1
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| InChIKey |
RRLFVWAAZVTYCH-ALJNDBQTSA-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