General Information of the Compound
| Compound ID |
CP0891914
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| Compound Name |
endo-methyl 6-(8-(bis(2-chlorophenyl)methyl)-3-carbamoyl-8-azabicyclo[3.2.1]octan-3-yl)nicotinate
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| Formula |
C28H27Cl2N3O3
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| Molecular Weight |
524.448
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| Canonical SMILES |
COC(=O)c1ccc([C@@]2(C(N)=O)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1
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| InChI |
InChI=1S/C28H27Cl2N3O3/c1-36-26(34)17-10-13-24(32-16-17)28(27(31)35)14-18-11-12-19(15-28)33(18)25(20-6-2-4-8-22(20)29)21-7-3-5-9-23(21)30/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H2,31,35)/t18-,19+,28-
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| InChIKey |
MTPFOKXOZBMPJU-FYYHFJLLSA-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