General Information of the Compound
| Compound ID |
CP0224150
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| Compound Name |
3-[4-[4-(1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)butyl]piperazin-1-yl]benzonitrile
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| Structure |
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| Formula |
C26H29N5O
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| Molecular Weight |
427.552
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| Canonical SMILES |
O=C1N(CCCCN2CCN(CC2)c2cccc(c2)C#N)CCn2c1cc1ccccc21
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| InChI |
InChI=1S/C26H29N5O/c27-20-21-6-5-8-23(18-21)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-24-9-2-1-7-22(24)19-25(31)26(30)32/h1-2,5-9,18-19H,3-4,10-17H2
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| InChIKey |
MHGRSFGKSQVLIY-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