General Information of the Compound
| Compound ID |
CP0572090
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| Compound Name |
(3S,6S,14S)-6-acetamido-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-(2-methylpropyl)-2,5,8-trioxo-1,4,9-triazacyclotetradecane-14-carboxamide
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| Structure |
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| Formula |
C27H43N9O6S
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| Molecular Weight |
621.765
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1)NC(C)=O
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| InChI |
InChI=1S/C27H43N9O6S/c1-15(2)13-19-24(41)35-18(7-4-5-9-30-21(38)14-20(25(42)36-19)33-16(3)37)23(40)34-17(8-6-10-32-27(28)29)22(39)26-31-11-12-43-26/h11-12,15,17-20H,4-10,13-14H2,1-3H3,(H,30,38)(H,33,37)(H,34,40)(H,35,41)(H,36,42)(H4,28,29,32)/t17-,18-,19-,20-/m0/s1
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| InChIKey |
MQTZNXMJQAAJDM-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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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