General Information of the Compound
| Compound ID |
CP0497750
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| Compound Name |
(4S,7S,10S,13R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-11-methyl-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 |
C30H43N11O5S2
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| Molecular Weight |
701.88
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| Canonical SMILES |
CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CSSC[C@H](NC(=O)CCNC(N)=N)C1=O)C(N)=O
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| InChI |
InChI=1S/C30H43N11O5S2/c1-41-23(7-4-11-36-29(32)33)27(45)39-20(14-17-8-9-18-5-2-3-6-19(18)13-17)26(44)40-21(25(31)43)15-47-48-16-22(28(41)46)38-24(42)10-12-37-30(34)35/h2-3,5-6,8-9,13,20-23H,4,7,10-12,14-16H2,1H3,(H2,31,43)(H,38,42)(H,39,45)(H,40,44)(H4,32,33,36)(H4,34,35,37)/t20-,21+,22-,23-/m0/s1
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| InChIKey |
UOIKQEBGRQPUMW-BJESRGMDSA-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