General Information of the Compound
| Compound ID |
CP0218317
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| Compound Name |
N-(cyclopropylmethyl)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2,6-dimethyl-N-(oxan-4-ylmethyl)pyrazolo[5,1-b][1,3]thiazol-7-amine
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| Structure |
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| Formula |
C27H37N3O4S
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| Molecular Weight |
499.677
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| Canonical SMILES |
COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1
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| InChI |
InChI=1S/C27H37N3O4S/c1-17-25(29(14-19-6-7-19)15-20-8-10-34-11-9-20)27-30(28-17)26(18(2)35-27)24-22(32-4)12-21(16-31-3)13-23(24)33-5/h12-13,19-20H,6-11,14-16H2,1-5H3
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| InChIKey |
STIRPLJDIDQVGJ-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