General Information of the Compound
| Compound ID |
CP0519807
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| Compound Name |
(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
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| Structure |
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| Formula |
C30H44N8O9S2
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| Molecular Weight |
724.863
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O
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| InChI |
InChI=1S/C30H44N8O9S2/c1-3-15(2)25-30(47)35-18(8-9-22(31)40)27(44)36-20(13-23(32)41)28(45)37-21(26(33)43)14-49-48-11-10-24(42)34-19(29(46)38-25)12-16-4-6-17(39)7-5-16/h4-7,15,18-21,25,39H,3,8-14H2,1-2H3,(H2,31,40)(H2,32,41)(H2,33,43)(H,34,42)(H,35,47)(H,36,44)(H,37,45)(H,38,46)/t15-,18-,19-,20-,21-,25-/m0/s1
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| InChIKey |
IMZRMICAUVSFLL-KSJBZNBFSA-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