General Information of the Compound
| Compound ID |
CP0802162
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| Compound Name |
Ethyl (R)-2-(4-(1-(3-(((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-2-methyl-1H-indol-1-yl)ethyl)-piperidin-1-yl)acetate
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| Formula |
C29H38N4O5
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| Molecular Weight |
522.646
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| Canonical SMILES |
CCOC(=O)CN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1
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| InChI |
InChI=1S/C29H38N4O5/c1-6-38-26(34)17-32-13-11-21(12-14-32)19(3)33-20(4)27(22-9-7-8-10-24(22)33)29(36)30-16-23-25(37-5)15-18(2)31-28(23)35/h7-10,15,19,21H,6,11-14,16-17H2,1-5H3,(H,30,36)(H,31,35)/t19-/m1/s1
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| InChIKey |
YGVXREOUIGGCLP-LJQANCHMSA-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