General Information of the Compound
| Compound ID |
CP0357869
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| Compound Name |
7-(4-amino-2-fluorophenyl)-N-[(3S)-azepan-3-yl]isoquinolin-5-amine
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| Structure |
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| Formula |
C21H23FN4
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| Molecular Weight |
350.441
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| Canonical SMILES |
Nc1ccc(c(F)c1)-c1cc(N[C@H]2CCCCNC2)c2ccncc2c1
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| InChI |
InChI=1S/C21H23FN4/c22-20-11-16(23)4-5-18(20)14-9-15-12-25-8-6-19(15)21(10-14)26-17-3-1-2-7-24-13-17/h4-6,8-12,17,24,26H,1-3,7,13,23H2/t17-/m0/s1
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| InChIKey |
NTJHXOPWIGBYGG-KRWDZBQOSA-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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