General Information of the Compound
| Compound ID |
CP0254687
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| Compound Name |
US9303015, 41
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| Structure |
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| Formula |
C29H25Cl3N4O
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| Molecular Weight |
551.905
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| Canonical SMILES |
CC(C)N(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H25Cl3N4O/c1-18(2)36(22-7-5-4-6-8-22)27-26(31)23-15-20(11-14-24(23)34-28(27)32)29(37,25-16-33-17-35(25)3)19-9-12-21(30)13-10-19/h4-18,37H,1-3H3
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| InChIKey |
UAQRZTVJCIBCKB-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