General Information of the Compound
| Compound ID |
CP0464818
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| Compound Name |
US9212187, 104
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
Cn1c2ccc(OCCCCCN(CCc3cccnc3)C(=O)c3cccnc3)cc2ccc1=O
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| InChI |
InChI=1S/C28H30N4O3/c1-31-26-11-10-25(19-23(26)9-12-27(31)33)35-18-4-2-3-16-32(17-13-22-7-5-14-29-20-22)28(34)24-8-6-15-30-21-24/h5-12,14-15,19-21H,2-4,13,16-18H2,1H3
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| InChIKey |
IPNYBCYVMQGXJA-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