General Information of the Compound
| Compound ID |
CP0419341
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| Compound Name |
US9428456, 1.073
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| Structure |
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| Formula |
C29H39N5O3
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| Molecular Weight |
505.663
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cccnc3N3CCOCC3)c2)CC1
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| InChI |
InChI=1S/C29H39N5O3/c35-28(31-24-7-2-1-3-8-24)23-11-14-33(15-12-23)21-22-6-4-9-25(20-22)32-29(36)26-10-5-13-30-27(26)34-16-18-37-19-17-34/h4-6,9-10,13,20,23-24H,1-3,7-8,11-12,14-19,21H2,(H,31,35)(H,32,36)
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| InChIKey |
QZRKCKHSJLNDEU-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