General Information of the Compound
| Compound ID |
CP0481291
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| Compound Name |
ML10302 scaffold, 9{a;q}
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| Structure |
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| Formula |
C23H27Cl2N3O4
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| Molecular Weight |
480.392
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)Cc1ccccc1Cl
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| InChI |
InChI=1S/C23H27Cl2N3O4/c1-31-21-14-20(26)19(25)13-17(21)23(30)32-11-10-28-8-6-16(7-9-28)27-22(29)12-15-4-2-3-5-18(15)24/h2-5,13-14,16H,6-12,26H2,1H3,(H,27,29)
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| InChIKey |
BMOODWZWOWBVJA-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