General Information of the Compound
| Compound ID |
CP0412022
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| Compound Name |
US9273014, Comparative Compound 47
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| Structure |
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| Formula |
C28H35ClN4O3
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| Molecular Weight |
511.066
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| Canonical SMILES |
CCCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccc(Cl)cc2)c2ccccc2N(C)C1=O)C(N)=O
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| InChI |
InChI=1S/C28H35ClN4O3/c1-5-6-9-20(25(30)34)22(16-17(2)3)27(35)32-26-28(36)33(4)23-11-8-7-10-21(23)24(31-26)18-12-14-19(29)15-13-18/h7-8,10-15,17,20,22,26H,5-6,9,16H2,1-4H3,(H2,30,34)(H,32,35)/t20-,22+,26+/m0/s1
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| InChIKey |
JADHURSZAFCXCI-UNIVCBNLSA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT06709, Recombining binding protein suppressor of hairless