General Information of the Compound
| Compound ID |
CP0858655
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| Compound Name |
N-((1R,3r,5S)-8-(2-((2-(1H-indol-3-yl)ethyl)(methyl)amino)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C33H41N5O2
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| Molecular Weight |
539.724
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21
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| InChI |
InChI=1S/C33H41N5O2/c1-22(2)38-31-11-7-4-8-23(31)18-29(33(38)40)32(39)35-25-19-26-12-13-27(20-25)37(26)17-16-36(3)15-14-24-21-34-30-10-6-5-9-28(24)30/h4-11,18,21-22,25-27,34H,12-17,19-20H2,1-3H3,(H,35,39)/t25-,26+,27-
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| InChIKey |
BNYAQKKSDCNZOB-LGKQTMLJSA-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