General Information of the Compound
| Compound ID |
CP0512442
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| Compound Name |
3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C28H34N4O4
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| Molecular Weight |
490.604
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| Canonical SMILES |
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(nn12)C#N
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| InChI |
InChI=1S/C28H34N4O4/c1-33-18-21-13-25(34-2)27(26(14-21)35-3)23-5-4-6-24-28(22(15-29)30-32(23)24)31(16-19-7-8-19)17-20-9-11-36-12-10-20/h4-6,13-14,19-20H,7-12,16-18H2,1-3H3
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| InChIKey |
ZGPYOITZBPLLPY-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