General Information of the Compound
| Compound ID |
CP0260405
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| Compound Name |
(3S,6S,14S)-6-acetamido-3-(3-amino-3-oxopropyl)-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 |
C30H42N10O7S
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| Molecular Weight |
686.796
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| Canonical SMILES |
CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C30H42N10O7S/c1-16(41)36-21-15-24(43)34-13-5-4-8-19(38-27(46)20(39-28(21)47)11-12-23(31)42)26(45)37-18(9-6-14-35-30(32)33)25(44)29-40-17-7-2-3-10-22(17)48-29/h2-3,7,10,18-21H,4-6,8-9,11-15H2,1H3,(H2,31,42)(H,34,43)(H,36,41)(H,37,45)(H,38,46)(H,39,47)(H4,32,33,35)/t18-,19-,20-,21-/m0/s1
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| InChIKey |
NDQHQXALHKXAMC-TUFLPTIASA-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