General Information of the Compound
| Compound ID |
CP0398590
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| Compound Name |
1-(8-(2-(1-(furan-2-ylmethyl)-4-phenylpiperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-benzo[d]imidazole
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| Formula |
C33H40N4O
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| Molecular Weight |
508.71
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ccco2)CC1)c1ccccc1
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| InChI |
InChI=1S/C33H40N4O/c1-25-34-31-11-5-6-12-32(31)37(25)29-22-27-13-14-28(23-29)36(27)20-17-33(26-8-3-2-4-9-26)15-18-35(19-16-33)24-30-10-7-21-38-30/h2-12,21,27-29H,13-20,22-24H2,1H3/t27-,28+,29+
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| InChIKey |
XPNIFODGUNFQET-WLNZHLEZSA-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