General Information of the Compound
| Compound ID |
CP0474268
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| Compound Name |
2-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)methyl)oxazole
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| Formula |
C32H39N5O
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| Molecular Weight |
509.698
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ncco2)CC1)c1ccccc1
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| InChI |
InChI=1S/C32H39N5O/c1-24-34-29-9-5-6-10-30(29)37(24)28-21-26-11-12-27(22-28)36(26)19-15-32(25-7-3-2-4-8-25)13-17-35(18-14-32)23-31-33-16-20-38-31/h2-10,16,20,26-28H,11-15,17-19,21-23H2,1H3/t26-,27+,28+
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| InChIKey |
GNTGLDHNPBBPGV-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