General Information of the Compound
| Compound ID |
CP0458803
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| Compound Name |
4-[[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]amino]piperidine-1-sulfonamide
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| Structure |
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| Formula |
C38H46N8O6S
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| Molecular Weight |
742.903
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| Canonical SMILES |
NS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
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| InChI |
InChI=1S/C38H46N8O6S/c39-53(51,52)46-17-15-28(16-18-46)42-34-22-35(47)44-33(21-27-23-40-31-14-8-7-13-30(27)31)38(50)45-32(20-26-11-5-2-6-12-26)37(49)43-29(24-41-36(34)48)19-25-9-3-1-4-10-25/h1-14,23,28-29,32-34,40,42H,15-22,24H2,(H,41,48)(H,43,49)(H,44,47)(H,45,50)(H2,39,51,52)/t29-,32+,33+,34-/m1/s1
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| InChIKey |
ZLDLHEIGLHGNTE-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