General Information of the Compound
| Compound ID |
CP0773911
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| Compound Name |
(R)-2-((2-(2-(2-(3-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1H-pyrazol-1-yl)ethoxy)ethoxy)ethyl)amino)-2-oxoethane-1-sulfonic acid
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| Structure |
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| Formula |
C28H39N5O6S
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| Molecular Weight |
573.716
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| Canonical SMILES |
Cc1nn(CCOCCOCCNC(=O)CS(=O)(=O)O)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
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| InChI |
InChI=1S/C28H39N5O6S/c1-21-4-3-11-32(21)12-9-23-5-7-26-24(18-23)6-8-27(30-26)25-19-33(31-22(25)2)13-15-39-17-16-38-14-10-29-28(34)20-40(35,36)37/h5-8,18-19,21H,3-4,9-17,20H2,1-2H3,(H,29,34)(H,35,36,37)/t21-/m1/s1
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| InChIKey |
FFJGNEKKLALODM-OAQYLSRUSA-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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