General Information of the Compound
| Compound ID |
CP0523770
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| Compound Name |
6-fluoro-N-[(3R)-3-[4-[4-methoxy-N-(pyridin-3-ylmethyl)anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C30H38FN5O2
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| Molecular Weight |
519.665
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1cccnc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C
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| InChI |
InChI=1S/C30H38FN5O2/c1-21-18-28(31)34-23(3)29(21)30(37)33-15-11-22(2)35-16-12-26(13-17-35)36(20-24-6-5-14-32-19-24)25-7-9-27(38-4)10-8-25/h5-10,14,18-19,22,26H,11-13,15-17,20H2,1-4H3,(H,33,37)/t22-/m1/s1
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| InChIKey |
XFEUIXITSNYRKY-JOCHJYFZSA-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