General Information of the Compound
| Compound ID |
CP0006309
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| Compound Name |
US9777008, Compound 240
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| Structure |
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| Formula |
C28H32N6O
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| Molecular Weight |
468.605
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ccc2ncn(C3CCNC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C28H32N6O/c35-25(18-33-12-9-20-3-1-2-4-23(20)17-33)16-31-28-14-22(7-11-30-28)21-5-6-26-27(13-21)34(19-32-26)24-8-10-29-15-24/h1-7,11,13-14,19,24-25,29,35H,8-10,12,15-18H2,(H,30,31)
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| InChIKey |
IFWUTOHKQIYDAE-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