General Information of the Compound
| Compound ID |
CP0305338
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-[2-(trifluoromethyl)phenothiazin-10-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C30H31F4N5OS
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| Molecular Weight |
585.671
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2c3ccccc3Sc3ccc(cc23)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C30H31F4N5OS/c31-29(10-15-37(16-11-29)19-20-7-12-36-27(35)17-20)28(40)38-13-8-22(9-14-38)39-23-3-1-2-4-25(23)41-26-6-5-21(18-24(26)39)30(32,33)34/h1-7,12,17-18,22H,8-11,13-16,19H2,(H2,35,36)
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| InChIKey |
PWJAOGFKLATTAX-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