General Information of the Compound
| Compound ID |
CP0519359
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| Compound Name |
tert-butyl N-[3-[[4-[2-[2-[2-[2-[[1-[10-[4-[8-[(3S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-3-phenylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methyl-1,2,4-triazol-3-yl]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzoyl]amino]propyl]carbamate
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| Structure |
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| Formula |
C63H96F2N10O9
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| Molecular Weight |
1175.518
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| Canonical SMILES |
Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCNC(=O)OC(C)(C)C)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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| InChI |
InChI=1S/C63H96F2N10O9/c1-48-69-71-58(75(48)56-43-54-24-25-55(44-56)74(54)34-28-57(50-17-12-11-13-18-50)68-60(77)52-26-29-63(64,65)30-27-52)19-14-9-7-5-6-8-10-15-33-73-45-53(70-72-73)47-83-42-40-81-38-36-79-35-37-80-39-41-82-46-49-20-22-51(23-21-49)59(76)66-31-16-32-67-61(78)84-62(2,3)4/h11-13,17-18,20-23,45,52,54-57H,5-10,14-16,19,24-44,46-47H2,1-4H3,(H,66,76)(H,67,78)(H,68,77)/t54?,55?,56?,57-/m0/s1
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| InChIKey |
RBNVMUMIRAOXBX-MRLYIIMESA-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