General Information of the Compound
| Compound ID |
CP0684540
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| Compound Name |
(S)-N-(3-(1-amino-3-methyl-3,4-dihydroisoquinolin-3-yl)-4-fluorophenyl)-5-chloropicolinamide
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| Structure |
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| Formula |
C22H18ClFN4O
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| Molecular Weight |
408.864
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| Canonical SMILES |
C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cc2ccccc2C(N)=N1
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| InChI |
InChI=1S/C22H18ClFN4O/c1-22(11-13-4-2-3-5-16(13)20(25)28-22)17-10-15(7-8-18(17)24)27-21(29)19-9-6-14(23)12-26-19/h2-10,12H,11H2,1H3,(H2,25,28)(H,27,29)/t22-/m0/s1
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| InChIKey |
HYYQMCVDWIIXHE-QFIPXVFZSA-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