General Information of the Compound
| Compound ID |
CP0534138
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| Compound Name |
9-[3-[(4,6-dimethoxypyrimidin-2-yl)amino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
COc1cc(OC)nc(NCCCn2c3CCCCc3c3cc(ccc23)C#N)n1
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| InChI |
InChI=1S/C22H25N5O2/c1-28-20-13-21(29-2)26-22(25-20)24-10-5-11-27-18-7-4-3-6-16(18)17-12-15(14-23)8-9-19(17)27/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,24,25,26)
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| InChIKey |
MOHWLCMQLFHYLS-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