General Information of the Compound
| Compound ID |
CP0929286
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| Compound Name |
1-(3-{3-[3-(4-tert-Butyl-piperidin-1-yl)-propyl]-thioureido}-phenyl)-3,5-dimethyl-1,4-dihydro-pyrazine-2,6-dicarboxylic acid dimethyl ester
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| Formula |
C29H43N5O4S
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| Molecular Weight |
557.761
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(N/C(S)=N/CCCN2CCC(C(C)(C)C)CC2)c1
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| InChI |
InChI=1S/C29H43N5O4S/c1-19-24(26(35)37-6)34(25(20(2)31-19)27(36)38-7)23-11-8-10-22(18-23)32-28(39)30-14-9-15-33-16-12-21(13-17-33)29(3,4)5/h8,10-11,18,21,35H,9,12-17H2,1-7H3,(H2,30,32,39)/b26-24+
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| InChIKey |
NJZFJKUTDAPWJZ-SHHOIMCASA-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