General Information of the Compound
| Compound ID |
CP0060053
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| Compound Name |
5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-oxazole
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| Structure |
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| Formula |
C25H23N5O
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| Molecular Weight |
409.493
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| Canonical SMILES |
C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnco1
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| InChI |
InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29)
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| InChIKey |
HFRNGSUSVIONOS-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