General Information of the Compound
| Compound ID |
CP0481400
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| Compound Name |
N-(cyclopropylmethyl)-2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-3,8-dimethyl-N-(oxan-4-ylmethyl)quinolin-5-amine
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| Structure |
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| Formula |
C31H40N2O4
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| Molecular Weight |
504.671
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| Canonical SMILES |
COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)CC3CCOCC3)c2cc1C
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| InChI |
InChI=1S/C31H40N2O4/c1-20-6-9-26(33(17-22-7-8-22)18-23-10-12-37-13-11-23)25-14-21(2)31(32-30(20)25)29-27(35-4)15-24(19-34-3)16-28(29)36-5/h6,9,14-16,22-23H,7-8,10-13,17-19H2,1-5H3
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| InChIKey |
ROQJFURODPHMET-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound