General Information of the Compound
| Compound ID |
CP0511444
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| Compound Name |
methyl 3-[3-(benzylcarbamoyl)-5-[[(2S)-2-[[(2S)-2-[(4-cyanobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]phenyl]benzoate
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| Structure |
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| Formula |
C45H44N5O10P
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| Molecular Weight |
845.846
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)cc(c1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C45H44N5O10P/c1-28(2)20-39(50-44(54)40(49-42(52)32-16-12-30(26-46)13-17-32)21-29-14-18-38(19-15-29)60-61(56,57)58)43(53)48-37-24-35(33-10-7-11-34(22-33)45(55)59-3)23-36(25-37)41(51)47-27-31-8-5-4-6-9-31/h4-19,22-25,28,39-40H,20-21,27H2,1-3H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1
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| InChIKey |
IGTKYGFVIRVRDC-ZAQUEYBZSA-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