General Information of the Compound
| Compound ID |
CP0576971
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| Compound Name |
US9428456, 1.052
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| Structure |
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| Formula |
C30H39N3O2
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| Molecular Weight |
473.661
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| Canonical SMILES |
O=C(CC1Cc2ccccc2C1)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C30H39N3O2/c34-29(20-23-17-25-8-4-5-9-26(25)18-23)31-28-12-6-7-22(19-28)21-33-15-13-24(14-16-33)30(35)32-27-10-2-1-3-11-27/h4-9,12,19,23-24,27H,1-3,10-11,13-18,20-21H2,(H,31,34)(H,32,35)
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| InChIKey |
GERWIYXWCQFDOT-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