General Information of the Compound
| Compound ID |
CP0106415
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| Compound Name |
2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yloxy)ethoxy)-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
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| InChI |
InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3
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| InChIKey |
CCEYDGKRXQRJOJ-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