General Information of the Compound
| Compound ID |
CP0435546
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| Compound Name |
3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C25H27N5O
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| Molecular Weight |
413.525
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| Canonical SMILES |
COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
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| InChI |
InChI=1S/C25H27N5O/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3
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| InChIKey |
QMRDAGPTZAPMJI-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