General Information of the Compound
| Compound ID |
CP0313312
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| Compound Name |
N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-3-fluoroisoquinoline-6-carboxamide
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| Structure |
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| Formula |
C22H20Cl2FN3O
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| Molecular Weight |
432.326
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| Canonical SMILES |
Fc1cc2cc(ccc2cn1)C(=O)NC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H20Cl2FN3O/c23-18-4-3-14(10-19(18)24)21(13-5-7-26-8-6-13)28-22(29)15-1-2-16-12-27-20(25)11-17(16)9-15/h1-4,9-13,21,26H,5-8H2,(H,28,29)
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| InChIKey |
QFMBYPBOVSGXGC-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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