General Information of the Compound
| Compound ID |
CP0562541
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| Compound Name |
3-[(7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanamide
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| Structure |
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| Formula |
C29H43N7O8S2
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| Molecular Weight |
681.838
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
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| InChI |
InChI=1S/C29H43N7O8S2/c1-3-16(2)25-29(44)34-19(8-9-22(30)38)27(42)35-21(15-23(31)39)26(41)32-11-13-46-45-12-10-24(40)33-20(28(43)36-25)14-17-4-6-18(37)7-5-17/h4-7,16,19-21,25,37H,3,8-15H2,1-2H3,(H2,30,38)(H2,31,39)(H,32,41)(H,33,40)(H,34,44)(H,35,42)(H,36,43)/t16-,19-,20-,21-,25-/m0/s1
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| InChIKey |
MDTWSBWZWYKHJU-XDDGOCGTSA-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