General Information of the Compound
| Compound ID |
CP0319928
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| Compound Name |
ethyl 1-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
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| Structure |
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| Formula |
C31H31N3O4
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| Molecular Weight |
509.606
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| Canonical SMILES |
CCOC(=O)C1(CC1)c1ccc(cc1)-c1ccc(cc1)-c1cnn(C)c1NC(=O)O[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C31H31N3O4/c1-4-37-29(35)31(18-19-31)26-16-14-24(15-17-26)23-10-12-25(13-11-23)27-20-32-34(3)28(27)33-30(36)38-21(2)22-8-6-5-7-9-22/h5-17,20-21H,4,18-19H2,1-3H3,(H,33,36)/t21-/m1/s1
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| InChIKey |
BKOZVMQVDMNHQR-OAQYLSRUSA-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