General Information of the Compound
| Compound ID |
CP0390743
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| Compound Name |
N-[5-[1-[[4-(diethylamino)phenyl]methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C30H39N5O2
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| Molecular Weight |
501.675
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| Canonical SMILES |
CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1
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| InChI |
InChI=1S/C30H39N5O2/c1-5-35(6-2)26-10-7-23(8-11-26)21-34-17-13-24(14-18-34)25-9-12-29(37-22(3)4)27(19-25)33-30(36)28-20-31-15-16-32-28/h7-12,15-16,19-20,22,24H,5-6,13-14,17-18,21H2,1-4H3,(H,33,36)
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| InChIKey |
NKIAHRJDXIIUGO-UHFFFAOYSA-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