General Information of the Compound
| Compound ID |
CP0450012
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| Compound Name |
US10336717, Compound 10
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| Structure |
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| Formula |
C28H25ClN4O
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| Molecular Weight |
468.988
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(c1)C#N
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| InChI |
InChI=1S/C28H25ClN4O/c1-33-26(31)32-28(34-33)25-15-21(23-12-18(17-30)13-24(29)14-23)6-7-22(25)16-27(28)10-8-19-4-2-3-5-20(19)9-11-27/h2-7,12-15H,8-11,16H2,1H3,(H2,31,32)
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| InChIKey |
BSLOJIAKFHBYMO-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