General Information of the Compound
| Compound ID |
CP0058806
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| Compound Name |
12-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
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| Structure |
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| Formula |
C25H25N5
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| Molecular Weight |
395.51
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| Canonical SMILES |
CC1(C)CCCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1
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| InChI |
InChI=1S/C25H25N5/c1-25(2)8-3-9-30(16-25)15-17-4-6-18(7-5-17)19-10-22-21-11-20(12-26)27-14-23(21)29-24(22)28-13-19/h4-7,10-11,13-14H,3,8-9,15-16H2,1-2H3,(H,28,29)
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| InChIKey |
KOGFSINKMHAXKX-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