General Information of the Compound
| Compound ID |
CP0490455
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| Compound Name |
(2S,5S,8R,13R)-13-amino-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
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| Structure |
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| Formula |
C33H36N6O4
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| Molecular Weight |
580.689
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| Canonical SMILES |
N[C@@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
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| InChI |
InChI=1S/C33H36N6O4/c34-26-18-30(40)36-20-24(15-21-9-3-1-4-10-21)37-32(42)28(16-22-11-5-2-6-12-22)39-33(43)29(38-31(26)41)17-23-19-35-27-14-8-7-13-25(23)27/h1-14,19,24,26,28-29,35H,15-18,20,34H2,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t24-,26-,28+,29+/m1/s1
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| InChIKey |
ZHWCPOLTRZEWQE-DOYJQPJHSA-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