General Information of the Compound
| Compound ID |
CP0439368
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| Compound Name |
4-(8-benzyl-5-cyano-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-propylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
CCCNC(=O)N1CCN(CC1)c1nc(Cc2ccccc2)c2COC(C)(C)Cc2c1C#N
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| InChI |
InChI=1S/C26H33N5O2/c1-4-10-28-25(32)31-13-11-30(12-14-31)24-21(17-27)20-16-26(2,3)33-18-22(20)23(29-24)15-19-8-6-5-7-9-19/h5-9H,4,10-16,18H2,1-3H3,(H,28,32)
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| InChIKey |
PSLLOACYOKFJMA-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