General Information of the Compound
| Compound ID |
CP0503381
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| Compound Name |
N-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-(1-oxo-1,4-thiazinan-4-yl)acetamide
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| Structure |
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| Formula |
C39H45N7O6S
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| Molecular Weight |
739.899
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| Canonical SMILES |
[O-][S+]1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1
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| InChI |
InChI=1S/C39H45N7O6S/c47-35-22-34(44-36(48)25-46-15-17-53(52)18-16-46)37(49)41-24-29(19-26-9-3-1-4-10-26)42-38(50)32(20-27-11-5-2-6-12-27)45-39(51)33(43-35)21-28-23-40-31-14-8-7-13-30(28)31/h1-14,23,29,32-34,40H,15-22,24-25H2,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,45,51)/t29-,32+,33+,34-/m1/s1
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| InChIKey |
UAEFQRFIAQDXBM-ODRDEDCPSA-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