General Information of the Compound
| Compound ID |
CP0344654
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| Compound Name |
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)N1CCN(C)CC1
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| InChI |
InChI=1S/C23H29N5O2/c1-17-7-9-28(10-8-17)21-15-18(27-13-11-26(2)12-14-27)3-5-20(21)25-23(29)22-6-4-19(16-24)30-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29)
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| InChIKey |
VPVJZBBTXRKDKI-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