General Information of the Compound
| Compound ID |
CP0540705
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,3-difluorophenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C27H28ClF2N3O3
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| Molecular Weight |
515.988
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| Canonical SMILES |
Fc1cccc(-c2ccc(o2)C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)c1F
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| InChI |
InChI=1S/C27H28ClF2N3O3/c28-21-16-18(4-5-24(21)35-19-8-10-31-11-9-19)17-32-12-14-33(15-13-32)27(34)25-7-6-23(36-25)20-2-1-3-22(29)26(20)30/h1-7,16,19,31H,8-15,17H2
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| InChIKey |
NOMMHCFIHLAUAZ-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