General Information of the Compound
| Compound ID |
CP0549332
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| Compound Name |
(3S,6S,14S)-6-acetamido-N-[(2S)-1-[6-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1,3-benzothiazol-2-yl]-5-(diaminomethylideneamino)-1-oxopentan-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 |
C36H55N11O7S
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| Molecular Weight |
785.973
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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)c1nc2ccc(N[C@@H](C(C)C)C(N)=O)cc2s1)NC(C)=O
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| InChI |
InChI=1S/C36H55N11O7S/c1-18(2)15-25-33(53)45-24(9-6-7-13-40-28(49)17-26(34(54)46-25)42-20(5)48)32(52)44-23(10-8-14-41-36(38)39)30(50)35-47-22-12-11-21(16-27(22)55-35)43-29(19(3)4)31(37)51/h11-12,16,18-19,23-26,29,43H,6-10,13-15,17H2,1-5H3,(H2,37,51)(H,40,49)(H,42,48)(H,44,52)(H,45,53)(H,46,54)(H4,38,39,41)/t23-,24-,25-,26-,29-/m0/s1
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| InChIKey |
BVIZJIXKCBABFU-YIHYGEMESA-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