General Information of the Compound
| Compound ID |
CP0576501
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| Compound Name |
US9428456, 1.036
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| Structure |
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| Formula |
C30H41N3O2
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| Molecular Weight |
475.677
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| Canonical SMILES |
CC(C)C(C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1)c1ccccc1
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| InChI |
InChI=1S/C30H41N3O2/c1-22(2)28(24-11-5-3-6-12-24)30(35)32-27-15-9-10-23(20-27)21-33-18-16-25(17-19-33)29(34)31-26-13-7-4-8-14-26/h3,5-6,9-12,15,20,22,25-26,28H,4,7-8,13-14,16-19,21H2,1-2H3,(H,31,34)(H,32,35)
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| InChIKey |
BWXVZHHYROKFSK-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