General Information of the Compound
| Compound ID |
CP0073823
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| Compound Name |
N-[(R)-azetidin-3-yl-(3,4-dichlorophenyl)methyl]isoquinoline-6-carboxamide
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| Structure |
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| Formula |
C20H17Cl2N3O
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| Molecular Weight |
386.282
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| Canonical SMILES |
Clc1ccc(cc1Cl)[C@H](NC(=O)c1ccc2cnccc2c1)C1CNC1
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| InChI |
InChI=1S/C20H17Cl2N3O/c21-17-4-3-13(8-18(17)22)19(16-10-24-11-16)25-20(26)14-1-2-15-9-23-6-5-12(15)7-14/h1-9,16,19,24H,10-11H2,(H,25,26)/t19-/m0/s1
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| InChIKey |
TWAIYMKBHKNSRO-IBGZPJMESA-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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