General Information of the Compound
| Compound ID |
CP0450719
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| Compound Name |
4-[5-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]benzonitrile
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| Structure |
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| Formula |
C28H29ClN4O3
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| Molecular Weight |
505.018
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| Canonical SMILES |
Clc1cc(CN2CCN(CC2)C(=O)c2ccc(o2)-c2ccc(cc2)C#N)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C28H29ClN4O3/c29-24-17-21(3-6-26(24)35-23-9-11-31-12-10-23)19-32-13-15-33(16-14-32)28(34)27-8-7-25(36-27)22-4-1-20(18-30)2-5-22/h1-8,17,23,31H,9-16,19H2
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| InChIKey |
PWPWRCYTPQEUIT-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