General Information of the Compound
| Compound ID |
CP0549617
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| Compound Name |
3-(6-aminohexylamino)-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C29H40F6N4O7
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| Molecular Weight |
670.648
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
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| InChI |
InChI=1S/C25H38N4O3.2C2HF3O2/c26-12-4-1-2-5-13-27-22-23(25(31)24(22)30)28-14-9-17-32-21-11-8-10-20(18-21)19-29-15-6-3-7-16-29;2*3-2(4,5)1(6)7/h8,10-11,18,27-28H,1-7,9,12-17,19,26H2;2*(H,6,7)
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| InChIKey |
HZCKYPUNLANKIR-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