General Information of the Compound
| Compound ID |
CP0251942
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| Compound Name |
12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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| Structure |
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| Formula |
C22H22N4
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| Molecular Weight |
342.446
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| Canonical SMILES |
C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnccc3c2c1
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| InChI |
InChI=1S/C22H22N4/c1-2-10-26(11-3-1)15-16-4-6-17(7-5-16)18-12-20-19-8-9-23-14-21(19)25-22(20)24-13-18/h4-9,12-14H,1-3,10-11,15H2,(H,24,25)
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| InChIKey |
AGJHYDCWZUUFAE-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