General Information of the Compound
| Compound ID |
CP0411269
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| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(3R,6S,12S,15S)-15-amino-12-(4-aminobutyl)-27-hydroxy-5,11,14-trioxo-4,10,13,20-tetrazatricyclo[24.3.1.06,10]triaconta-1(30),23,26,28-tetraene-3-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C43H70N8O8
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| Molecular Weight |
827.081
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(CC=CCCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)c2)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C43H70N8O8/c1-5-28(4)37(41(56)49-34(43(58)59)24-27(2)3)50-39(54)33-26-29-18-19-36(52)30(25-29)14-7-6-11-21-46-22-12-9-15-31(45)38(53)47-32(16-8-10-20-44)42(57)51-23-13-17-35(51)40(55)48-33/h6-7,18-19,25,27-28,31-35,37,46,52H,5,8-17,20-24,26,44-45H2,1-4H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)/t28-,31-,32-,33+,34-,35-,37-/m0/s1
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| InChIKey |
MUYSUNAYXFRSCD-ZGQNLQJXSA-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