General Information of the Compound
| Compound ID |
CP0526018
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| Compound Name |
(4S,7S,10S,13R)-10-(3-Guanidino-propyl)-13-(3-guanidino-propylamino)-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 |
C37H51N11O5S2
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| Molecular Weight |
794.021
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| Canonical SMILES |
NC(=N)NCCCN[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCCc1ccc(O)cc1
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| InChI |
InChI=1S/C37H51N11O5S2/c38-36(39)44-15-3-7-28-33(51)47-29(20-24-8-11-25-5-1-2-6-26(25)19-24)34(52)48-31(32(50)43-18-14-23-9-12-27(49)13-10-23)22-55-54-21-30(35(53)46-28)42-16-4-17-45-37(40)41/h1-2,5-6,8-13,19,28-31,42,49H,3-4,7,14-18,20-22H2,(H,43,50)(H,46,53)(H,47,51)(H,48,52)(H4,38,39,44)(H4,40,41,45)/t28-,29-,30-,31+/m0/s1
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| InChIKey |
IQSJJMLXLNCKSX-XHPANXIASA-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