General Information of the Compound
| Compound ID |
CP0427913
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| Compound Name |
N-[(2S)-1-amino-3-(3-hydroxyphenyl)-1-oxopropan-2-yl]-6-[[2-(4-tert-butylphenyl)-5-pyridin-2-ylpyrazol-3-yl]amino]hexanamide
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| Structure |
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| Formula |
C33H40N6O3
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| Molecular Weight |
568.722
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1NCCCCCC(=O)N[C@@H](Cc1cccc(O)c1)C(N)=O)-c1ccccn1
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| InChI |
InChI=1S/C33H40N6O3/c1-33(2,3)24-14-16-25(17-15-24)39-30(22-28(38-39)27-12-6-8-18-35-27)36-19-7-4-5-13-31(41)37-29(32(34)42)21-23-10-9-11-26(40)20-23/h6,8-12,14-18,20,22,29,36,40H,4-5,7,13,19,21H2,1-3H3,(H2,34,42)(H,37,41)/t29-/m0/s1
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| InChIKey |
GRRMAMAFZKOWNW-LJAQVGFWSA-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