General Information of the Compound
| Compound ID |
CP0578229
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| Compound Name |
US9181182, 52
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| Structure |
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| Formula |
C24H29ClN4O4
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| Molecular Weight |
472.973
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| Canonical SMILES |
CCCCOc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
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| InChI |
InChI=1S/C24H29ClN4O4/c1-2-3-10-32-21-7-5-18(12-19(21)25)23-27-22(28-33-23)17-4-6-20-16(11-17)8-9-29(20)13-24(26,14-30)15-31/h4-7,11-12,30-31H,2-3,8-10,13-15,26H2,1H3
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| InChIKey |
GLNFOJKGKLUMRG-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