General Information of the Compound
| Compound ID |
CP0010569
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| Compound Name |
US9745291, Compound 71
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| Structure |
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| Formula |
C27H35N5O3
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| Molecular Weight |
477.609
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| Canonical SMILES |
CN1CCC(CC1)n1ncc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
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| InChI |
InChI=1S/C27H35N5O3/c1-30-11-9-23(10-12-30)32-26-14-25(7-6-21(26)15-29-32)35-19-27(34)28-16-24(33)18-31-13-8-20-4-2-3-5-22(20)17-31/h2-7,14-15,23-24,33H,8-13,16-19H2,1H3,(H,28,34)
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| InChIKey |
NVHDTCSUVANCLV-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