General Information of the Compound
| Compound ID |
CP0439852
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| Compound Name |
N-[(1S)-3-[3-[3-(10-azidodecyl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
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| Structure |
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| Formula |
C36H54F2N8O
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| Molecular Weight |
652.879
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| Canonical SMILES |
Cc1nnc(CCCCCCCCCCN=[N+]=[N-])n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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| InChI |
InChI=1S/C36H54F2N8O/c1-27-42-43-34(15-11-6-4-2-3-5-7-12-23-40-44-39)46(27)32-25-30-16-17-31(26-32)45(30)24-20-33(28-13-9-8-10-14-28)41-35(47)29-18-21-36(37,38)22-19-29/h8-10,13-14,29-33H,2-7,11-12,15-26H2,1H3,(H,41,47)/t30?,31?,32?,33-/m0/s1
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| InChIKey |
YGWBPRKJJOXDTN-FPOPRHALSA-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