General Information of the Compound
| Compound ID |
CP0579984
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| Compound Name |
CHEMBL5193454
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| Formula |
C30H29Cl2FN4O3
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| Molecular Weight |
583.491
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| Canonical SMILES |
CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(F)(CN[C@H]3C[C@@H](C3)C(O)=O)C2)C1=O
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| InChI |
InChI=1S/C30H29Cl2FN4O3/c1-29(2)26-24(11-19(32)13-34-26)23-8-3-18(31)12-25(23)37(28(29)40)22-6-4-21(5-7-22)36-15-30(33,16-36)14-35-20-9-17(10-20)27(38)39/h3-8,11-13,17,20,35H,9-10,14-16H2,1-2H3,(H,38,39)/t17-,20-
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| InChIKey |
DVDOOJPUMCADJO-IRJFHVNHSA-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