General Information of the Compound
| Compound ID |
CP0928800
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| Compound Name |
endo-tert-butyl 3-(3,4-dichlorophenyl)-3-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)ethyl)pyrrolidine-1-carboxylate
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| Formula |
C32H40Cl2N4O2
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| Molecular Weight |
583.604
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1
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| InChI |
InChI=1S/C32H40Cl2N4O2/c1-21-35-28-7-5-6-8-29(28)38(21)25-18-23-10-11-24(19-25)37(23)16-14-32(22-9-12-26(33)27(34)17-22)13-15-36(20-32)30(39)40-31(2,3)4/h5-9,12,17,23-25H,10-11,13-16,18-20H2,1-4H3/t23-,24+,25+,32?
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| InChIKey |
ICSKIEUWVASLGU-IEFHVLFYSA-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