General Information of the Compound
| Compound ID |
CP0504767
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| Compound Name |
1-[[[7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]-(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C29H36N4O4S
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| Molecular Weight |
536.698
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| Canonical SMILES |
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CCOCC3)CC3(CC3)C#N)c(SC)nn12
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| InChI |
InChI=1S/C29H36N4O4S/c1-34-17-21-14-24(35-2)26(25(15-21)36-3)22-6-5-7-23-27(28(38-4)31-33(22)23)32(19-29(18-30)10-11-29)16-20-8-12-37-13-9-20/h5-7,14-15,20H,8-13,16-17,19H2,1-4H3
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| InChIKey |
BQNYNQOCMRKPFE-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