General Information of the Compound
| Compound ID |
CP0545297
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| Compound Name |
[4-amino-2-[[2-methyl-6-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridin-3-yl]amino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
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| Structure |
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| Formula |
C26H30Cl2N6OS
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| Molecular Weight |
545.54
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| Canonical SMILES |
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
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| InChI |
InChI=1S/C26H30Cl2N6OS/c1-16-19(6-7-20(30-16)34-14-10-26(11-15-34)8-12-33(2)13-9-26)31-25-32-24(29)23(36-25)22(35)21-17(27)4-3-5-18(21)28/h3-7H,8-15,29H2,1-2H3,(H,31,32)
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| InChIKey |
CHUDIJJINHPGKN-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