General Information of the Compound
| Compound ID |
CP0564125
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| Compound Name |
US9469631, 112
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| Structure |
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| Formula |
C29H39N3O3
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| Molecular Weight |
477.649
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C29H39N3O3/c1-29(2,3)35-28(34)31-18-16-26(17-19-31)32(25-14-15-25)27(33)24-12-10-23(11-13-24)22-8-6-21(7-9-22)20-30(4)5/h6-13,25-26H,14-20H2,1-5H3
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| InChIKey |
AIVZPMPAOHEFMY-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