General Information of the Compound
| Compound ID |
CP0434113
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| Compound Name |
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-yl)pentanamide
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| Structure |
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| Formula |
C32H37N5O3
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| Molecular Weight |
539.68
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1ccncc1
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| InChI |
InChI=1S/C32H37N5O3/c1-32(2,3)24-10-12-25(13-11-24)37-26(21-28(36-37)23-16-18-34-19-17-23)6-4-5-7-30(39)35-29(31(33)40)20-22-8-14-27(38)15-9-22/h8-19,21,29,38H,4-7,20H2,1-3H3,(H2,33,40)(H,35,39)/t29-/m0/s1
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| InChIKey |
CFVFFYOLJYMMHI-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