General Information of the Compound
| Compound ID |
CP0515403
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| Compound Name |
2-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetamide
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| Structure |
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| Formula |
C34H41N9O7
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| Molecular Weight |
687.758
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| Canonical SMILES |
NC(=O)C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
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| InChI |
InChI=1S/C34H41N9O7/c35-28(45)17-27-33(50)41-24(6-3-13-38-34(36)37)31(48)42-25(16-20-7-10-21-4-1-2-5-22(21)14-20)30(47)39-18-29(46)40-26(32(49)43-27)15-19-8-11-23(44)12-9-19/h1-2,4-5,7-12,14,24-27,44H,3,6,13,15-18H2,(H2,35,45)(H,39,47)(H,40,46)(H,41,50)(H,42,48)(H,43,49)(H4,36,37,38)/t24-,25-,26+,27+/m0/s1
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| InChIKey |
KQODWMUBYGJESZ-GWMMUDDPSA-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