General Information of the Compound
| Compound ID |
CP0556164
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| Compound Name |
US9428456, 1.045
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| Structure |
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| Formula |
C29H37N5O2
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| Molecular Weight |
487.648
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| Canonical SMILES |
O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C29H37N5O2/c35-28(14-13-27-32-25-11-4-5-12-26(25)33-27)30-24-10-6-7-21(19-24)20-34-17-15-22(16-18-34)29(36)31-23-8-2-1-3-9-23/h4-7,10-12,19,22-23H,1-3,8-9,13-18,20H2,(H,30,35)(H,31,36)(H,32,33)
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| InChIKey |
NJPXBBSUEPUXQB-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