General Information of the Compound
| Compound ID |
CP0386755
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| Compound Name |
3-[4-[4-(11-amino-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-1-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C31H36N6
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| Molecular Weight |
492.671
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| Canonical SMILES |
Nc1c2CCCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
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| InChI |
InChI=1S/C31H36N6/c32-20-22-12-13-26-25(19-22)23(21-34-26)7-4-5-14-36-15-17-37(18-16-36)29-11-6-10-28-30(29)31(33)24-8-2-1-3-9-27(24)35-28/h6,10-13,19,21,34H,1-5,7-9,14-18H2,(H2,33,35)
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| InChIKey |
YOZKDYTZTOXPRA-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