General Information of the Compound
| Compound ID |
CP0457262
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| Compound Name |
4-(3-(4-(N-methylacetamido)phenyl)pentan-3-yl)phenyl diisopropylcarbamate
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| Structure |
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| Formula |
C27H38N2O3
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| Molecular Weight |
438.612
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| Canonical SMILES |
CCC(CC)(c1ccc(OC(=O)N(C(C)C)C(C)C)cc1)c1ccc(cc1)N(C)C(C)=O
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| InChI |
InChI=1S/C27H38N2O3/c1-9-27(10-2,22-11-15-24(16-12-22)28(8)21(7)30)23-13-17-25(18-14-23)32-26(31)29(19(3)4)20(5)6/h11-20H,9-10H2,1-8H3
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| InChIKey |
CJTPLYUHOOXKDM-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