General Information of the Compound
| Compound ID |
CP0412215
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| Compound Name |
US9216968, 117
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| Structure |
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| Formula |
C31H30Cl2N4O4
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| Molecular Weight |
593.511
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3cc(ccc3Cl)C#CCOC(C)(C)C)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C31H30Cl2N4O4/c1-18-23(32)9-6-10-25(18)36-30(39)22-15-20(16-26-28(22)37-27(35-26)17-40-5)34-29(38)21-14-19(11-12-24(21)33)8-7-13-41-31(2,3)4/h6,9-12,14-16H,13,17H2,1-5H3,(H,34,38)(H,35,37)(H,36,39)
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| InChIKey |
AKCCXZVYVXOUMR-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