General Information of the Compound
| Compound ID |
CP0529906
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| Compound Name |
Allyl-carbamic acid 4-[(3-chloro-2-hydroxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
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| Formula |
C24H27ClN2O4
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| Molecular Weight |
442.943
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| Canonical SMILES |
Oc1c(Cl)cccc1C(=O)NC[C@]1(CC[C@@H](CC1)OC(=O)NCC=C)c1ccccc1
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| InChI |
InChI=1S/C24H27ClN2O4/c1-2-15-26-23(30)31-18-11-13-24(14-12-18,17-7-4-3-5-8-17)16-27-22(29)19-9-6-10-20(25)21(19)28/h2-10,18,28H,1,11-16H2,(H,26,30)(H,27,29)/t18-,24+
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| InChIKey |
ZYIYWVIHJSRUJO-OWWJJEGGSA-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