General Information of the Compound
| Compound ID |
CP0666264
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| Compound Name |
tert-butyl (1-((4-(4-((1r,3r,5R,7S)-adamantan-2-ylidene(4-hydroxyphenyl)methyl)phenoxy)butyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamate
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| Structure |
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| Formula |
C43H51N3O5
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| Molecular Weight |
689.897
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C43H51N3O5/c1-43(2,3)51-42(49)46-38(25-33-26-45-37-9-5-4-8-36(33)37)41(48)44-18-6-7-19-50-35-16-12-30(13-17-35)39(29-10-14-34(47)15-11-29)40-31-21-27-20-28(23-31)24-32(40)22-27/h4-5,8-17,26-28,31-32,38,45,47H,6-7,18-25H2,1-3H3,(H,44,48)(H,46,49)/t27?,28?,31?,32?,38-/m0/s1
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| InChIKey |
HYYJLZLIZFYDGH-TZDOJKITSA-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