General Information of the Compound
| Compound ID |
CP0486077
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| Compound Name |
(Z)-(2S,5S,8R,15S)-15-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,16-trioxo-1,4,7triaza-cyclohexadec-11-ene-8-carboxylic acid amide
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| Structure |
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| Formula |
C33H47N11O5
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| Molecular Weight |
677.811
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC\C=C/CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N
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| InChI |
InChI=1S/C33H47N11O5/c34-28(46)23-10-3-1-2-4-11-24(41-27(45)15-17-40-33(37)38)29(47)43-25(12-7-16-39-32(35)36)30(48)44-26(31(49)42-23)19-20-13-14-21-8-5-6-9-22(21)18-20/h1-2,5-6,8-9,13-14,18,23-26H,3-4,7,10-12,15-17,19H2,(H2,34,46)(H,41,45)(H,42,49)(H,43,47)(H,44,48)(H4,35,36,39)(H4,37,38,40)/b2-1-/t23-,24+,25+,26+/m1/s1
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| InChIKey |
DUEUAZXNNMLCAF-QNEOFRRRSA-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