General Information of the Compound
| Compound ID |
CP0524282
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| Compound Name |
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-4-(1-(4-tert-butylphenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-ylamino)butanamide
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| Structure |
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| Formula |
C31H36N6O3
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| Molecular Weight |
540.668
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1NCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1ccncc1
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| InChI |
InChI=1S/C31H36N6O3/c1-31(2,3)23-8-10-24(11-9-23)37-28(20-26(36-37)22-14-17-33-18-15-22)34-16-4-5-29(39)35-27(30(32)40)19-21-6-12-25(38)13-7-21/h6-15,17-18,20,27,34,38H,4-5,16,19H2,1-3H3,(H2,32,40)(H,35,39)/t27-/m0/s1
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| InChIKey |
OKNJBMTYKPDTNW-MHZLTWQESA-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