General Information of the Compound
| Compound ID |
CP0767847
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| Compound Name |
(R)-2-(2-(2-(3-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1H-pyrazol-1-yl)ethoxy)ethoxy)ethan-1-amine
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| Structure |
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| Formula |
C26H37N5O2
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| Molecular Weight |
451.615
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| Canonical SMILES |
Cc1nn(CCOCCOCCN)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
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| InChI |
InChI=1S/C26H37N5O2/c1-20-4-3-11-30(20)12-9-22-5-7-25-23(18-22)6-8-26(28-25)24-19-31(29-21(24)2)13-15-33-17-16-32-14-10-27/h5-8,18-20H,3-4,9-17,27H2,1-2H3/t20-/m1/s1
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| InChIKey |
NJNBEEGJKOFJCB-HXUWFJFHSA-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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