General Information of the Compound
| Compound ID |
CP0542739
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| Compound Name |
US9428456, 1.008
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| Structure |
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| Formula |
C27H33N5O2
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| Molecular Weight |
459.594
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3n[nH]c4ccccc34)c2)CC1
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| InChI |
InChI=1S/C27H33N5O2/c33-26(28-21-8-2-1-3-9-21)20-13-15-32(16-14-20)18-19-7-6-10-22(17-19)29-27(34)25-23-11-4-5-12-24(23)30-31-25/h4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2,(H,28,33)(H,29,34)(H,30,31)
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| InChIKey |
RTJIPKVYCBWOFV-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