General Information of the Compound
| Compound ID |
CP0343998
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| Compound Name |
(2S,5S,14S)-14-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(2-methylpropyl)-3,8,15-trioxo-1,4,9-triazacyclopentadecane-5-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](CCCCNC(=O)CC[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)17-24-30(47)39-23(13-14-26(43)35-15-7-6-10-22(28(45)40-24)37-19(3)42)29(46)38-21(11-8-16-36-32(33)34)27(44)31-41-20-9-4-5-12-25(20)48-31/h4-5,9,12,18,21-24H,6-8,10-11,13-17H2,1-3H3,(H,35,43)(H,37,42)(H,38,46)(H,39,47)(H,40,45)(H4,33,34,36)/t21-,22-,23-,24-/m0/s1
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| InChIKey |
LOJOAZJDEFCKLF-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