General Information of the Compound
| Compound ID |
CP0873155
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| Compound Name |
1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}-D-proline dihydrochloride
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| Structure |
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| Formula |
C25H35Cl2N3O3
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| Molecular Weight |
496.479
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| Canonical SMILES |
Cc1ccc(-c2c(CC(=O)N3CCC[C@@H]3C(=O)O)c(C)nc(CC(C)C)c2CN)cc1.Cl.Cl
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| InChI |
InChI=1S/C25H33N3O3.2ClH/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)27-21)13-23(29)28-11-5-6-22(28)25(30)31;;/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H,30,31);2*1H/t22-;;/m1../s1
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| InChIKey |
XSXMRCPXMVOCCN-GJICFQLNSA-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