General Information of the Compound
| Compound ID |
CP0364518
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| Compound Name |
3-[4-[4-(9-amino-5,6,7,8-tetrahydroacridin-1-yl)piperazin-1-yl]butanoyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C30H32N6O
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| Molecular Weight |
492.627
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| Canonical SMILES |
Nc1c2CCCCc2nc2cccc(N3CCN(CCCC(=O)c4c[nH]c5ccc(cc45)C#N)CC3)c12
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| InChI |
InChI=1S/C30H32N6O/c31-18-20-10-11-24-22(17-20)23(19-33-24)28(37)9-4-12-35-13-15-36(16-14-35)27-8-3-7-26-29(27)30(32)21-5-1-2-6-25(21)34-26/h3,7-8,10-11,17,19,33H,1-2,4-6,9,12-16H2,(H2,32,34)
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| InChIKey |
LEYMEDHZFBBEFS-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