General Information of the Compound
| Compound ID |
CP0256621
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| Compound Name |
N-[(2S,3R)-4-[[1-(3-tert-butyl-5-methoxyphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C29H40F2N2O3
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| Molecular Weight |
502.646
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| Canonical SMILES |
COc1cc(cc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)C(C)(C)C
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| InChI |
InChI=1S/C29H40F2N2O3/c1-19(34)33-26(13-20-11-23(30)17-24(31)12-20)27(35)18-32-29(9-7-6-8-10-29)22-14-21(28(2,3)4)15-25(16-22)36-5/h11-12,14-17,26-27,32,35H,6-10,13,18H2,1-5H3,(H,33,34)/t26-,27+/m0/s1
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| InChIKey |
TXALSADLOJSTLV-RRPNLBNLSA-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