General Information of the Compound
| Compound ID |
CP0921833
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| Compound Name |
exo-tert-butyl 4-(3-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)propyl)-4-phenylpiperidine-1-carboxylate
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| Formula |
C34H46N4O2
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| Molecular Weight |
542.768
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CCCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C34H46N4O2/c1-25-35-30-13-8-9-14-31(30)38(25)29-23-27-15-16-28(24-29)37(27)20-10-17-34(26-11-6-5-7-12-26)18-21-36(22-19-34)32(39)40-33(2,3)4/h5-9,11-14,27-29H,10,15-24H2,1-4H3/t27-,28+,29+
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| InChIKey |
WFKINWNQILYNCH-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