General Information of the Compound
| Compound ID |
CP0440451
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| Compound Name |
4-O-cyclopentyl 1-O-[(3-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
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| Structure |
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| Formula |
C22H31NO7
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| Molecular Weight |
421.49
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| Canonical SMILES |
COc1cccc(COC(=O)[C@H](CC(=O)OC2CCCC2)NC(=O)OC(C)(C)C)c1
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| InChI |
InChI=1S/C22H31NO7/c1-22(2,3)30-21(26)23-18(13-19(24)29-16-9-5-6-10-16)20(25)28-14-15-8-7-11-17(12-15)27-4/h7-8,11-12,16,18H,5-6,9-10,13-14H2,1-4H3,(H,23,26)/t18-/m0/s1
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| InChIKey |
UQOQPWCQURBDSK-SFHVURJKSA-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