General Information of the Compound
| Compound ID |
CP0578756
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| Compound Name |
3-[(4-methoxyquinolin-3-yl)diazenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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| Formula |
C30H29F3N6O2
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| Molecular Weight |
562.596
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| Canonical SMILES |
COc1c(cnc2ccccc12)\N=N\c1cccc(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H29F3N6O2/c1-38-12-14-39(15-13-38)19-21-10-11-22(17-25(21)30(31,32)33)35-29(40)20-6-5-7-23(16-20)36-37-27-18-34-26-9-4-3-8-24(26)28(27)41-2/h3-11,16-18H,12-15,19H2,1-2H3,(H,35,40)/b37-36+
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| InChIKey |
YIQCWOGLRHLGOB-BSRQYYOTSA-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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