General Information of the Compound
| Compound ID |
CP0482746
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| Compound Name |
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
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| Structure |
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| Formula |
C30H33ClN8O2
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| Molecular Weight |
573.101
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)n1cccn1)C(O)(c1cnnn1C)c1ccc(C)nc1C
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| InChI |
InChI=1S/C30H33ClN8O2/c1-19-6-8-25(20(2)34-19)30(40,27-17-32-36-37(27)3)21-7-9-26-23(16-21)28(31)24(29(35-26)41-4)18-38-14-10-22(11-15-38)39-13-5-12-33-39/h5-9,12-13,16-17,22,40H,10-11,14-15,18H2,1-4H3
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| InChIKey |
ZYIMMJKAQGPSKH-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