General Information of the Compound
| Compound ID |
CP0506824
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| Compound Name |
US9216968, 122
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| Structure |
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| Formula |
C29H28Cl2N4O3
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| Molecular Weight |
551.474
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3cc(CCC4CC4)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C29H28Cl2N4O3/c1-16-22(30)4-3-5-24(16)34-29(37)21-13-19(14-25-27(21)35-26(33-25)15-38-2)32-28(36)20-12-18(10-11-23(20)31)9-8-17-6-7-17/h3-5,10-14,17H,6-9,15H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)
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| InChIKey |
FGQHOVCEWAJXBE-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