General Information of the Compound
| Compound ID |
CP0549333
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| Compound Name |
(6S,14S)-6-acetamido-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 |
C27H37N9O6S
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| Molecular Weight |
615.717
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| Canonical SMILES |
CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C27H37N9O6S/c1-15(37)33-19-13-21(38)30-11-5-4-8-18(34-22(39)14-32-24(19)41)25(42)35-17(9-6-12-31-27(28)29)23(40)26-36-16-7-2-3-10-20(16)43-26/h2-3,7,10,17-19H,4-6,8-9,11-14H2,1H3,(H,30,38)(H,32,41)(H,33,37)(H,34,39)(H,35,42)(H4,28,29,31)/t17-,18-,19-/m0/s1
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| InChIKey |
KULBLQGJDWZVDS-FHWLQOOXSA-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