General Information of the Compound
| Compound ID |
CP0865366
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| Compound Name |
methyl N-[(1S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-4,5,9,10-tetrahydropyren-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
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| Structure |
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| Formula |
C44H54N8O6
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| Molecular Weight |
790.966
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)CCc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc(c2-4)CC3)[nH]1)C(C)C
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| InChI |
InChI=1S/C44H54N8O6/c1-23(2)37(49-43(55)57-5)41(53)51-15-7-9-33(51)39-45-21-31(47-39)29-17-25-11-13-27-19-30(20-28-14-12-26(18-29)35(25)36(27)28)32-22-46-40(48-32)34-10-8-16-52(34)42(54)38(24(3)4)50-44(56)58-6/h17-24,33-34,37-38H,7-16H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t33-,34-,37-,38-/m0/s1
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| InChIKey |
MIZRANNEFVGTPV-JOJDORDVSA-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