General Information of the Compound
| Compound ID |
CP0010586
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| Compound Name |
US9777008, Compound 243
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| Structure |
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| Formula |
C31H35N5O3
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| Molecular Weight |
525.653
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| Canonical SMILES |
CC(=O)N1CCC(CC1)n1ccc2cnc(nc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C31H35N5O3/c1-22(37)35-14-11-27(12-15-35)36-16-10-25-18-32-30(33-31(25)36)24-7-4-8-29(17-24)39-21-28(38)20-34-13-9-23-5-2-3-6-26(23)19-34/h2-8,10,16-18,27-28,38H,9,11-15,19-21H2,1H3
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| InChIKey |
QYUPUZJNYJVPRA-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