General Information of the Compound
| Compound ID |
CP0439559
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| Compound Name |
1-(8-(2-(1-((1H-imidazol-2-yl)methyl)-4-phenylpiperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-benzo[d]imidazole
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| Formula |
C32H40N6
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| Molecular Weight |
508.714
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ncc[nH]2)CC1)c1ccccc1
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| InChI |
InChI=1S/C32H40N6/c1-24-35-29-9-5-6-10-30(29)38(24)28-21-26-11-12-27(22-28)37(26)20-15-32(25-7-3-2-4-8-25)13-18-36(19-14-32)23-31-33-16-17-34-31/h2-10,16-17,26-28H,11-15,18-23H2,1H3,(H,33,34)/t26-,27+,28+
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| InChIKey |
IOYLAJJIHILCGL-KUMHGWDASA-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