General Information of the Compound
| Compound ID |
CP0964732
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| Compound Name |
US8921559, 40
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| Structure |
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| Formula |
C27H32Cl2N6O2
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| Molecular Weight |
543.499
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H32Cl2N6O2/c28-22-6-5-19(13-23(22)29)34-27(37)35-11-8-17(9-12-35)25(26(30)36)33-18-3-1-16(2-4-18)20-15-32-24-7-10-31-14-21(20)24/h5-7,10,13-18,25,32-33H,1-4,8-9,11-12H2,(H2,30,36)(H,34,37)
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| InChIKey |
XGJNHZLILDNPLT-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