General Information of the Compound
| Compound ID |
CP0465060
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| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-3-[3-[5-[(E)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]oxypentyl]imidazol-4-yl]-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C43H62N11O13PS
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| Molecular Weight |
1004.074
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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\c1csc(n1)N(C(C)=O)c1ccccc1)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/C43H62N11O13PS/c1-26(2)19-33(49-42(62)36-15-12-17-53(36)28(4)56)39(59)48-34(40(60)50-35(23-55)41(61)51-37(38(44)58)27(3)67-68(63,64)65)20-32-22-45-25-52(32)16-10-7-11-18-66-46-21-30-24-69-43(47-30)54(29(5)57)31-13-8-6-9-14-31/h6,8-9,13-14,21-22,24-27,33-37,55H,7,10-12,15-20,23H2,1-5H3,(H2,44,58)(H,48,59)(H,49,62)(H,50,60)(H,51,61)(H2,63,64,65)/b46-21+/t27-,33+,34+,35+,36+,37+/m1/s1
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| InChIKey |
SSGQBUPRSFPFIB-GHOWNLRVSA-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