General Information of the Compound
| Compound ID |
CP0194245
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| Compound Name |
AZD0530 analogue 29
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| Structure |
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| Formula |
C25H29ClN4O4
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| Molecular Weight |
484.984
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| Canonical SMILES |
CC(C)COc1cc(OC2CCN(C)CC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
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| InChI |
InChI=1S/C25H29ClN4O4/c1-15(2)12-31-17-10-19-22(21(11-17)34-16-6-8-30(3)9-7-16)25(28-13-27-19)29-23-18(26)4-5-20-24(23)33-14-32-20/h4-5,10-11,13,15-16H,6-9,12,14H2,1-3H3,(H,27,28,29)
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| InChIKey |
CFEJJQZWMZTARJ-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