General Information of the Compound
| Compound ID |
CP0391560
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| Compound Name |
(R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-7-((S)-(R)-1-naphthalen-2-ylmethyl)-6,9-dioxo-12-(R)-oxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid amide
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| Structure |
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| Formula |
C29H41N11O5S2
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| Molecular Weight |
687.853
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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(N)=O)NC(=O)CCNC(N)=N
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| InChI |
InChI=1S/C29H41N11O5S2/c30-24(42)21-14-46-47-15-22(37-23(41)9-11-36-29(33)34)27(45)38-19(6-3-10-35-28(31)32)25(43)39-20(26(44)40-21)13-16-7-8-17-4-1-2-5-18(17)12-16/h1-2,4-5,7-8,12,19-22H,3,6,9-11,13-15H2,(H2,30,42)(H,37,41)(H,38,45)(H,39,43)(H,40,44)(H4,31,32,35)(H4,33,34,36)/t19-,20-,21+,22-/m1/s1
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| InChIKey |
OCJGKWVBYGMGLC-YUMYIRISSA-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