General Information of the Compound
| Compound ID |
CP0070659
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-(4-pyrido[3,2-b][1,4]benzothiazin-10-ylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C28H31FN6OS
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| Molecular Weight |
518.662
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2c3ccccc3Sc3cccnc23)ccn1
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| InChI |
InChI=1S/C28H31FN6OS/c29-28(10-16-33(17-11-28)19-20-7-13-31-25(30)18-20)27(36)34-14-8-21(9-15-34)35-22-4-1-2-5-23(22)37-24-6-3-12-32-26(24)35/h1-7,12-13,18,21H,8-11,14-17,19H2,(H2,30,31)
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| InChIKey |
PFMVLMOJJHQYJP-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