General Information of the Compound
| Compound ID |
CP0476748
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| Compound Name |
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 4-[3-(1H-indol-5-yl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C38H45N3O5
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| Molecular Weight |
623.794
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)-c1ccc2[nH]ccc2c1)C(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C38H45N3O5/c1-23-32(35(43)45-22-24-13-16-41(17-14-24)36(44)46-37(2,3)4)33(34-30(40-23)20-38(5,6)21-31(34)42)28-9-7-8-25(19-28)26-10-11-29-27(18-26)12-15-39-29/h7-12,15,18-19,24,33,39-40H,13-14,16-17,20-22H2,1-6H3
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| InChIKey |
RNTGJIFNZGRWPV-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