General Information of the Compound
| Compound ID |
CP0498467
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| Compound Name |
3-[(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]-propionic acid
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| Structure |
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| Formula |
C35H42N8O8
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| Molecular Weight |
702.769
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
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| InChI |
InChI=1S/C35H42N8O8/c36-35(37)38-15-3-6-25-32(49)43-27(18-21-7-10-22-4-1-2-5-23(22)16-21)31(48)39-19-29(45)40-28(17-20-8-11-24(44)12-9-20)34(51)42-26(33(50)41-25)13-14-30(46)47/h1-2,4-5,7-12,16,25-28,44H,3,6,13-15,17-19H2,(H,39,48)(H,40,45)(H,41,50)(H,42,51)(H,43,49)(H,46,47)(H4,36,37,38)/t25-,26+,27-,28+/m0/s1
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| InChIKey |
QIZZLDFGVSXENK-ZVBOOHQUSA-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