General Information of the Compound
| Compound ID |
CP0909413
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| Compound Name |
(4S,10S,13S,16S)-16-acetamido-10-benzyl-13-(4-hydroxybenzyl)-4-(naphthalen-2-ylmethyl)-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 |
C40H44N6O9
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| Molecular Weight |
752.825
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=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/C40H44N6O9/c1-24(47)43-34(22-36(50)51)40(55)46-33(20-26-13-16-30(48)17-14-26)39(54)45-32(19-25-8-4-3-5-9-25)38(53)42-23-35(49)44-31(37(52)41-2)21-27-12-15-28-10-6-7-11-29(28)18-27/h3-18,31-34,48H,19-23H2,1-2H3,(H,41,52)(H,42,53)(H,43,47)(H,44,49)(H,45,54)(H,46,55)(H,50,51)/t31-,32-,33-,34-/m0/s1
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| InChIKey |
VCMIKWXFQMUVCQ-CUPIEXAXSA-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