General Information of the Compound
| Compound ID |
CP0543999
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| Compound Name |
US8846929, 249
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3COC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C24H31N3O4/c28-23-22(24(29)30)25-20-10-6-7-11-21(20)27(23)17-12-18-14-31-15-19(13-17)26(18)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H,29,30)/t17-,18-,19+
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| InChIKey |
HGYDUCGUYXZXRS-LDLYASANSA-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