General Information of the Compound
| Compound ID |
CP0499960
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| Compound Name |
(4S,7S,10S,13R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C37H49N11O6S2
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| Molecular Weight |
808.004
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)NCCc1ccc(O)cc1)NC(=O)CCNC(N)=N
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| InChI |
InChI=1S/C37H49N11O6S2/c38-36(39)43-15-3-6-27-33(52)47-28(19-23-7-10-24-4-1-2-5-25(24)18-23)34(53)48-29(32(51)42-16-13-22-8-11-26(49)12-9-22)20-55-56-21-30(35(54)46-27)45-31(50)14-17-44-37(40)41/h1-2,4-5,7-12,18,27-30,49H,3,6,13-17,19-21H2,(H,42,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28-,29+,30-/m0/s1
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| InChIKey |
DYXVNDRFWPHOLI-ZXYZSCNASA-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