General Information of the Compound
| Compound ID |
CP0930894
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| Compound Name |
CHEMBL3932434
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| Structure |
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| Formula |
C32H40N4O4
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| Molecular Weight |
544.696
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| Canonical SMILES |
O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1
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| InChI |
InChI=1S/C32H40N4O4/c37-28-26(23-24-11-2-1-3-12-24)35-29(38)32(18-8-9-19-32)36-30(39)31(16-6-7-17-31)34-21-22-40-27-15-5-4-13-25(27)14-10-20-33-28/h1-5,10-15,26,34H,6-9,16-23H2,(H,33,37)(H,35,38)(H,36,39)/b14-10-/t26-/m0/s1
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| InChIKey |
ISOQWZXEUCJPQG-WZYKBHSMSA-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