General Information of the Compound
| Compound ID |
CP0960265
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| Compound Name |
methyl N-[(S)-[[(2S)-2-[6-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-naphthyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]amino]-tetrahydropyran-4-yl-methyl]carbamate
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| Structure |
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| Formula |
C44H53N9O7
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| Molecular Weight |
819.964
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| Canonical SMILES |
COC(=O)N[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2[nH]1)C1CCOCC1
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| InChI |
InChI=1S/C44H53N9O7/c1-25(2)37(49-43(56)58-3)41(54)52-17-5-7-35(52)39-45-24-34(48-39)31-12-11-27-21-28(9-10-29(27)22-31)30-13-14-32-33(23-30)47-40(46-32)36-8-6-18-53(36)42(55)50-38(51-44(57)59-4)26-15-19-60-20-16-26/h9-14,21-26,35-38H,5-8,15-20H2,1-4H3,(H,45,48)(H,46,47)(H,49,56)(H,50,55)(H,51,57)/t35-,36-,37-,38-/m0/s1
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| InChIKey |
ZAGPUXOPZGBXHR-ZQWQDMLBSA-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