General Information of the Compound
| Compound ID |
CP0577980
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| Compound Name |
(3S,6S,14S)-6-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-9-methyl-3-(2-methylpropyl)-2,5,8-trioxo-1,4,9-triazacyclotetradecane-14-carboxamide
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| Structure |
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| Formula |
C32H47N9O6S
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| Molecular Weight |
685.852
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)N(C)CCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O
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| InChI |
InChI=1S/C32H47N9O6S/c1-18(2)16-23-29(46)38-22(11-7-8-15-41(4)26(43)17-24(30(47)39-23)36-19(3)42)28(45)37-21(12-9-14-35-32(33)34)27(44)31-40-20-10-5-6-13-25(20)48-31/h5-6,10,13,18,21-24H,7-9,11-12,14-17H2,1-4H3,(H,36,42)(H,37,45)(H,38,46)(H,39,47)(H4,33,34,35)/t21-,22-,23-,24-/m0/s1
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| InChIKey |
RFDXBWAKPXTPCV-ZJZGAYNASA-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