General Information of the Compound
| Compound ID |
CP0930943
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| Compound Name |
(4-{2-Phenyl-2-[(pyridin-2-ylmethyl)amino]ethyl}-piperazin-1-yl)(tetrahydro-furan-2-yl)methanone
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| Structure |
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| Formula |
C23H30N4O2
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| Molecular Weight |
394.519
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| Canonical SMILES |
O=C(C1CCCO1)N1CCN(CC(NCc2ccccn2)c2ccccc2)CC1
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| InChI |
InChI=1S/C23H30N4O2/c28-23(22-10-6-16-29-22)27-14-12-26(13-15-27)18-21(19-7-2-1-3-8-19)25-17-20-9-4-5-11-24-20/h1-5,7-9,11,21-22,25H,6,10,12-18H2
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| InChIKey |
PSFYBZOFVANRRZ-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