General Information of the Compound
| Compound ID |
CP0572257
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| Compound Name |
US9428456, 1.152
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| Structure |
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| Formula |
C27H41N3O2
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| Molecular Weight |
439.644
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)C3CCCCCC3)c2)CC1
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| InChI |
InChI=1S/C27H41N3O2/c31-26(22-10-4-1-2-5-11-22)29-25-14-8-9-21(19-25)20-30-17-15-23(16-18-30)27(32)28-24-12-6-3-7-13-24/h8-9,14,19,22-24H,1-7,10-13,15-18,20H2,(H,28,32)(H,29,31)
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| InChIKey |
VTCQMWNBVKOUQF-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