General Information of the Compound
| Compound ID |
CP0072679
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| Compound Name |
3-[4-[4-(9-amino-5,6,7,8-tetrahydroacridin-3-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 |
Nc1c2CCCCc2nc2cc(ccc12)N1CCN(CCCC(=O)c2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C30H32N6O/c31-18-20-7-10-26-24(16-20)25(19-33-26)29(37)6-3-11-35-12-14-36(15-13-35)21-8-9-23-28(17-21)34-27-5-2-1-4-22(27)30(23)32/h7-10,16-17,19,33H,1-6,11-15H2,(H2,32,34)
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| InChIKey |
VSOMMGVYTLABPP-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