General Information of the Compound
| Compound ID |
CP0454614
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| Compound Name |
US9469631, 11
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| Structure |
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| Formula |
C24H29N3O5
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| Molecular Weight |
439.512
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| Canonical SMILES |
O=C(OC1CCOCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
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| InChI |
InChI=1S/C24H29N3O5/c28-23(18-3-1-17(2-4-18)22-15-25-16-31-22)27(19-5-6-19)20-7-11-26(12-8-20)24(29)32-21-9-13-30-14-10-21/h1-4,15-16,19-21H,5-14H2
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| InChIKey |
JVPBJMYUBNLWGP-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