General Information of the Compound
| Compound ID |
CP0507484
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| Compound Name |
US9428456, 1.029
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| Structure |
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| Formula |
C29H37N3O2
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| Molecular Weight |
459.634
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| Canonical SMILES |
O=C(Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1)C1CC1c1ccccc1
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| InChI |
InChI=1S/C29H37N3O2/c33-28(30-24-11-5-2-6-12-24)23-14-16-32(17-15-23)20-21-8-7-13-25(18-21)31-29(34)27-19-26(27)22-9-3-1-4-10-22/h1,3-4,7-10,13,18,23-24,26-27H,2,5-6,11-12,14-17,19-20H2,(H,30,33)(H,31,34)
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| InChIKey |
QBBBCCDARHRBFO-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