General Information of the Compound
| Compound ID |
CP0574191
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| Compound Name |
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(3-pyrrolidin-1-ylpropoxy)benzamide
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| Structure |
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| Formula |
C31H37N7O4
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| Molecular Weight |
571.682
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCCN4CCCC4)cc3)[nH]n2)no1
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| InChI |
InChI=1S/C31H37N7O4/c1-31(2,3)26-20-28(37-42-26)34-30(40)32-23-11-7-21(8-12-23)25-19-27(36-35-25)33-29(39)22-9-13-24(14-10-22)41-18-6-17-38-15-4-5-16-38/h7-14,19-20H,4-6,15-18H2,1-3H3,(H2,32,34,37,40)(H2,33,35,36,39)
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| InChIKey |
SDJUYCKHPFYMQD-UHFFFAOYSA-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