General Information of the Compound
| Compound ID |
CP0844916
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| Compound Name |
6-amino-4-(4-(dimethylamino)phenyl)-3-(4-isobutylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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| Structure |
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| Formula |
C25H27N5O
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| Molecular Weight |
413.525
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| Canonical SMILES |
CC(C)Cc1ccc(-c2n[nH]c3c2C(c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1
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| InChI |
InChI=1S/C25H27N5O/c1-15(2)13-16-5-7-18(8-6-16)23-22-21(17-9-11-19(12-10-17)30(3)4)20(14-26)24(27)31-25(22)29-28-23/h5-12,15,21H,13,27H2,1-4H3,(H,28,29)
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| InChIKey |
QFAKULKMSXKJTI-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