General Information of the Compound
| Compound ID |
CP0509773
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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 amide
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| Structure |
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| Formula |
C29H43N11O4S2
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| Molecular Weight |
673.87
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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(N)=O
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| InChI |
InChI=1S/C29H43N11O4S2/c30-24(41)22-15-45-46-16-23(35-11-4-12-37-29(33)34)27(44)38-20(7-3-10-36-28(31)32)25(42)39-21(26(43)40-22)14-17-8-9-18-5-1-2-6-19(18)13-17/h1-2,5-6,8-9,13,20-23,35H,3-4,7,10-12,14-16H2,(H2,30,41)(H,38,44)(H,39,42)(H,40,43)(H4,31,32,36)(H4,33,34,37)/t20-,21-,22+,23-/m0/s1
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| InChIKey |
PDAUJFCNDYTSNI-GPJHCHHRSA-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