General Information of the Compound
| Compound ID |
CP0427911
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| Compound Name |
N-[(1S)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-6-[[2-(4-tert-butylphenyl)-5-pyridin-2-ylpyrazol-3-yl]amino]hexanamide
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| Structure |
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| Formula |
C32H38N6O3
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| Molecular Weight |
554.695
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1NCCCCCC(=O)N[C@H](C(N)=O)c1ccc(O)cc1)-c1ccccn1
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| InChI |
InChI=1S/C32H38N6O3/c1-32(2,3)23-13-15-24(16-14-23)38-28(21-27(37-38)26-9-6-8-19-34-26)35-20-7-4-5-10-29(40)36-30(31(33)41)22-11-17-25(39)18-12-22/h6,8-9,11-19,21,30,35,39H,4-5,7,10,20H2,1-3H3,(H2,33,41)(H,36,40)/t30-/m0/s1
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| InChIKey |
KOCFRHIRGKMAQY-PMERELPUSA-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