General Information of the Compound
| Compound ID |
CP0845820
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| Compound Name |
(4S,7S,10S,13S)-10-benzyl-13-((S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-ylcarbamoyl)-7-(4-hydroxybenzyl)-2,5,8,11-tetraoxo-4-(pyridin-3-ylmethyl)-3,6,9,12-tetraazahexadecan-16-oic acid
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| Structure |
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| Formula |
C43H48ClN7O9
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| Molecular Weight |
842.35
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cccnc1)NC(C)=O
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| InChI |
InChI=1S/C43H48ClN7O9/c1-26(52)47-35(24-30-9-6-20-46-25-30)41(58)50-37(23-29-12-16-32(53)17-13-29)43(60)51-36(21-27-7-4-3-5-8-27)42(59)48-33(18-19-38(54)55)40(57)49-34(39(56)45-2)22-28-10-14-31(44)15-11-28/h3-17,20,25,33-37,53H,18-19,21-24H2,1-2H3,(H,45,56)(H,47,52)(H,48,59)(H,49,57)(H,50,58)(H,51,60)(H,54,55)/t33-,34-,35-,36-,37-/m0/s1
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| InChIKey |
XLPCIJPYBXXGKD-LTLCPEALSA-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