General Information of the Compound
| Compound ID |
CP0427667
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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-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C40H48N8O5
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| Molecular Weight |
720.875
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| Canonical SMILES |
CN1CCN(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/C40H48N8O5/c1-47-16-18-48(19-17-47)26-37(50)45-35-23-36(49)44-34(22-29-24-41-32-15-9-8-14-31(29)32)40(53)46-33(21-28-12-6-3-7-13-28)39(52)43-30(25-42-38(35)51)20-27-10-4-2-5-11-27/h2-15,24,30,33-35,41H,16-23,25-26H2,1H3,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)/t30-,33+,34+,35-/m1/s1
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| InChIKey |
CWKSTWGKPGMEST-WNWUTZSISA-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