General Information of the Compound
Compound ID |
CP0712067
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Compound Name |
(2R)-6-acetamido-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-2-carbamoyl-1-(2-furyl)allyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]hexanamide
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Structure |
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Formula |
C36H43N7O7
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Molecular Weight |
685.782
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Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCNC(C)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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InChI |
InChI=1S/C36H43N7O7/c1-21(33(38)46)32(31-11-7-17-50-31)43-36(49)30(19-24-20-40-28-9-4-3-8-26(24)28)42-35(48)29(10-5-6-16-39-22(2)44)41-34(47)27(37)18-23-12-14-25(45)15-13-23/h3-4,7-9,11-15,17,20,27,29-30,32,40,45H,1,5-6,10,16,18-19,37H2,2H3,(H2,38,46)(H,39,44)(H,41,47)(H,42,48)(H,43,49)/t27-,29+,30-,32+/m0/s1
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InChIKey |
GIDICTQVYWEXLA-AUXUOOQGSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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