General Information of the Compound
| Compound ID |
CP0554100
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| Compound Name |
US9428456, 1.084
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| Structure |
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| Formula |
C29H39N5O2
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| Molecular Weight |
489.664
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccc(cn3)N3CCCC3)c2)CC1
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| InChI |
InChI=1S/C29H39N5O2/c35-28(31-24-8-2-1-3-9-24)23-13-17-33(18-14-23)21-22-7-6-10-25(19-22)32-29(36)27-12-11-26(20-30-27)34-15-4-5-16-34/h6-7,10-12,19-20,23-24H,1-5,8-9,13-18,21H2,(H,31,35)(H,32,36)
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| InChIKey |
CXHNWHUJHRHNAJ-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