General Information of the Compound
| Compound ID |
CP0475798
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| Compound Name |
3-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-4-(pyrrolidine-1-carbonyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanamide
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| Structure |
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| Formula |
C34H50N8O9S2
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| Molecular Weight |
778.955
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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(=O)N1CCCC1
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| InChI |
InChI=1S/C34H50N8O9S2/c1-3-19(2)29-33(50)38-22(10-11-26(35)44)30(47)39-24(17-27(36)45)31(48)40-25(34(51)42-13-4-5-14-42)18-53-52-15-12-28(46)37-23(32(49)41-29)16-20-6-8-21(43)9-7-20/h6-9,19,22-25,29,43H,3-5,10-18H2,1-2H3,(H2,35,44)(H2,36,45)(H,37,46)(H,38,50)(H,39,47)(H,40,48)(H,41,49)/t19-,22-,23-,24-,25-,29-/m0/s1
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| InChIKey |
NRJYWXVNRZDKPP-RCDKIEPFSA-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