General Information of the Compound
| Compound ID |
CP0516359
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| Compound Name |
US9469631, 56
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| Structure |
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| Formula |
C29H34N4O3
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| Molecular Weight |
486.616
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1cnc(c1)-c1ccccc1
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| InChI |
InChI=1S/C29H34N4O3/c1-29(2,3)36-28(35)31-17-15-25(16-18-31)33(24-13-14-24)27(34)22-9-11-23(12-10-22)32-19-26(30-20-32)21-7-5-4-6-8-21/h4-12,19-20,24-25H,13-18H2,1-3H3
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| InChIKey |
YDRSZFQYGFZWQO-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