General Information of the Compound
| Compound ID |
CP0949689
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| Compound Name |
(rel)-3-(4-fluorobenzyl)-8-(bis(2-chlorophenyl)methyl)-3-(pyrrolidin-1-ylmethyl)-8-aza-bicyclo[3.2.1]octane
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| Formula |
C32H35Cl2FN2
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| Molecular Weight |
537.55
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| Canonical SMILES |
Fc1ccc(C[C@]2(CN3CCCC3)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C32H35Cl2FN2/c33-29-9-3-1-7-27(29)31(28-8-2-4-10-30(28)34)37-25-15-16-26(37)21-32(20-25,22-36-17-5-6-18-36)19-23-11-13-24(35)14-12-23/h1-4,7-14,25-26,31H,5-6,15-22H2/t25-,26+,32+
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| InChIKey |
TVEQTXYDMMDXJP-YHYNAULMSA-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