General Information of the Compound
| Compound ID |
CP0865373
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| Compound Name |
methyl N-[(1R)-2-[(2S)-2-[5-[13-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
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| Structure |
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| Formula |
C47H50N8O9
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| Molecular Weight |
870.964
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@H](NC(=O)OC)c6ccccc6)[nH]5)cc(c2-4)OC3)[nH]1)C1CCOCC1
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| InChI |
InChI=1S/C47H50N8O9/c1-60-46(58)52-40(26-8-4-3-5-9-26)44(56)54-14-6-10-34(54)42-48-22-32(50-42)28-18-30-24-64-37-21-29(19-31-25-63-36(20-28)38(30)39(31)37)33-23-49-43(51-33)35-11-7-15-55(35)45(57)41(53-47(59)61-2)27-12-16-62-17-13-27/h3-5,8-9,18-23,27,34-35,40-41H,6-7,10-17,24-25H2,1-2H3,(H,48,50)(H,49,51)(H,52,58)(H,53,59)/t34-,35-,40+,41-/m0/s1
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| InChIKey |
KQRMNOWVIMROLH-JGGYCKORSA-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