General Information of the Compound
| Compound ID |
CP0402509
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| Compound Name |
US9181182, 33
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| Structure |
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| Formula |
C31H38N4O4
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| Molecular Weight |
530.669
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| Canonical SMILES |
COc1cc(ccc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
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| InChI |
InChI=1S/C31H38N4O4/c1-38-27-12-24(2-4-25(27)30-13-19-8-20(14-30)10-21(9-19)15-30)29-33-28(34-39-29)23-3-5-26-22(11-23)6-7-35(26)16-31(32,17-36)18-37/h2-5,11-12,19-21,36-37H,6-10,13-18,32H2,1H3
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| InChIKey |
VYYPDXPSUAWTPO-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