General Information of the Compound
| Compound ID |
CP0533742
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| Compound Name |
(3S,6S,15S)-6-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-(2-methylpropyl)-2,5,8-trioxo-1,4,9-triazacyclopentadecane-15-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)NCCCCC[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)39-22(11-5-4-8-14-35-26(43)17-24(30(47)40-23)37-19(3)42)28(45)38-21(12-9-15-36-32(33)34)27(44)31-41-20-10-6-7-13-25(20)48-31/h6-7,10,13,18,21-24H,4-5,8-9,11-12,14-17H2,1-3H3,(H,35,43)(H,37,42)(H,38,45)(H,39,46)(H,40,47)(H4,33,34,36)/t21-,22-,23-,24-/m0/s1
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| InChIKey |
ULIOUSXOKNOZQV-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