General Information of the Compound
| Compound ID |
CP0465061
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| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-[5-[(E)-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]methylideneamino]oxypentyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C43H64N11O12PS
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| Molecular Weight |
990.091
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1cnc(s1)N(C)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O
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| InChI |
InChI=1S/C43H64N11O12PS/c1-27(2)19-33(49-42(61)36-15-12-17-54(36)29(4)56)39(58)48-34(40(59)50-35(25-55)41(60)51-37(38(44)57)28(3)66-67(62,63)64)20-31-21-45-26-53(31)16-10-7-11-18-65-47-23-32-22-46-43(68-32)52(5)24-30-13-8-6-9-14-30/h6,8-9,13-14,21-23,26-28,33-37,55H,7,10-12,15-20,24-25H2,1-5H3,(H2,44,57)(H,48,58)(H,49,61)(H,50,59)(H,51,60)(H2,62,63,64)/b47-23+/t28-,33+,34+,35+,36+,37+/m1/s1
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| InChIKey |
UPWFDMAFUHNQNM-XIKJUOIESA-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