General Information of the Compound
Compound ID |
CP0571520
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Compound Name |
(3S,6S,14S)-6-acetamido-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,5,8-trioxo-1,4,9-triazacyclotetradecane-14-carboxamide
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Structure |
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Formula |
C29H40N10O7S
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Molecular Weight |
672.769
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Canonical SMILES |
CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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InChI |
InChI=1S/C29H40N10O7S/c1-15(40)35-20-14-23(42)33-11-5-4-8-18(37-26(45)19(13-22(30)41)38-27(20)46)25(44)36-17(9-6-12-34-29(31)32)24(43)28-39-16-7-2-3-10-21(16)47-28/h2-3,7,10,17-20H,4-6,8-9,11-14H2,1H3,(H2,30,41)(H,33,42)(H,35,40)(H,36,44)(H,37,45)(H,38,46)(H4,31,32,34)/t17-,18-,19-,20-/m0/s1
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InChIKey |
NQUYPPYJOZKUFP-MUGJNUQGSA-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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