General Information of the Compound
| Compound ID |
CP0075202
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-(4-phenothiazin-10-ylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C29H32FN5OS
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| Molecular Weight |
517.674
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2c3ccccc3Sc3ccccc23)ccn1
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| InChI |
InChI=1S/C29H32FN5OS/c30-29(12-17-33(18-13-29)20-21-9-14-32-27(31)19-21)28(36)34-15-10-22(11-16-34)35-23-5-1-3-7-25(23)37-26-8-4-2-6-24(26)35/h1-9,14,19,22H,10-13,15-18,20H2,(H2,31,32)
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| InChIKey |
CSHNEQFLMBVIPC-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