General Information of the Compound
| Compound ID |
CP0503744
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| Compound Name |
2-[(2S,5R,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-N-[2-(dimethylamino)ethyl]acetamide
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| Structure |
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| Formula |
C39H47N7O5
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| Molecular Weight |
693.849
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| Canonical SMILES |
CN(C)CCNC(=O)C[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/C39H47N7O5/c1-46(2)18-17-40-35(47)22-28-23-36(48)44-34(21-29-24-41-32-16-10-9-15-31(29)32)39(51)45-33(20-27-13-7-4-8-14-27)38(50)43-30(25-42-37(28)49)19-26-11-5-3-6-12-26/h3-16,24,28,30,33-34,41H,17-23,25H2,1-2H3,(H,40,47)(H,42,49)(H,43,50)(H,44,48)(H,45,51)/t28-,30-,33-,34+/m1/s1
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| InChIKey |
SIRONJQYMZPSKY-JSSFSXDKSA-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