General Information of the Compound
| Compound ID |
CP0438148
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| Compound Name |
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C30H39BrN2O5
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| Molecular Weight |
587.555
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| Canonical SMILES |
CC1=C([C@H](C2=C(CC(C)(C)CC2=O)N1)c1cccc(Br)c1)C(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C30H39BrN2O5/c1-18-24(27(35)37-17-19-10-12-33(13-11-19)28(36)38-29(2,3)4)25(20-8-7-9-21(31)14-20)26-22(32-18)15-30(5,6)16-23(26)34/h7-9,14,19,25,32H,10-13,15-17H2,1-6H3/t25-/m1/s1
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| InChIKey |
QXRHCJQRPJNXHT-RUZDIDTESA-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