General Information of the Compound
| Compound ID |
CP0103368
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| Compound Name |
1-[4-[4-[5-(cyclobutyloxycarbonylamino)-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
Cn1ncc(c1NC(=O)OC1CCC1)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O
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| InChI |
InChI=1S/C25H25N3O4/c1-28-22(27-24(31)32-20-3-2-4-20)21(15-26-28)18-7-5-16(6-8-18)17-9-11-19(12-10-17)25(13-14-25)23(29)30/h5-12,15,20H,2-4,13-14H2,1H3,(H,27,31)(H,29,30)
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| InChIKey |
CJBZKRPBSHOGLR-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