General Information of the Compound
| Compound ID |
CP0512666
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| Compound Name |
US9206173, 2431
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| Structure |
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| Formula |
C24H26Cl2N6O3
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| Molecular Weight |
517.417
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| Canonical SMILES |
CN(C)n1c(NN(C)c2ccc(Cl)cc2)nc2CCN(Cc2c1=O)C(=O)COc1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H26Cl2N6O3/c1-29(2)32-23(34)20-14-31(22(33)15-35-19-10-6-17(26)7-11-19)13-12-21(20)27-24(32)28-30(3)18-8-4-16(25)5-9-18/h4-11H,12-15H2,1-3H3,(H,27,28)
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| InChIKey |
VWLCBELSBIVCRY-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