General Information of the Compound
| Compound ID |
CP0497837
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| Compound Name |
[1-[(cyclohexylideneamino)oxycarbonylamino]-3-methoxypropan-2-yl] 4-(4-phenylphenyl)butanoate
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| Structure |
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| Formula |
C27H34N2O5
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| Molecular Weight |
466.578
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| Canonical SMILES |
COCC(CNC(=O)ON=C1CCCCC1)OC(=O)CCCc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H34N2O5/c1-32-20-25(19-28-27(31)34-29-24-12-6-3-7-13-24)33-26(30)14-8-9-21-15-17-23(18-16-21)22-10-4-2-5-11-22/h2,4-5,10-11,15-18,25H,3,6-9,12-14,19-20H2,1H3,(H,28,31)
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| InChIKey |
YPTNMHFKGAYWHU-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