General Information of the Compound
| Compound ID |
CP0515223
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| Compound Name |
US9469631, 128
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| Structure |
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| Formula |
C24H29N3O4
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| Molecular Weight |
423.513
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| Canonical SMILES |
O=C(OC1CCCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
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| InChI |
InChI=1S/C24H29N3O4/c28-23(18-7-5-17(6-8-18)22-15-25-16-30-22)27(19-9-10-19)20-11-13-26(14-12-20)24(29)31-21-3-1-2-4-21/h5-8,15-16,19-21H,1-4,9-14H2
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| InChIKey |
OSJGXZRTPSXGAF-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