General Information of the Compound
| Compound ID |
CP0484051
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| Compound Name |
US9000184, 9
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| Structure |
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| Formula |
C22H19ClN4
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| Molecular Weight |
374.875
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| Canonical SMILES |
CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(Cl)cc(c1)C#N
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| InChI |
InChI=1S/C22H19ClN4/c1-13-20(25)27-22(26-13)19-11-16(17-8-14(12-24)9-18(23)10-17)3-2-15(19)4-5-21(22)6-7-21/h2-3,8-11H,4-7H2,1H3,(H2,25,27)
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| InChIKey |
PKBFNKHRNBOEGL-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