General Information of the Compound
| Compound ID |
CP0542090
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| Compound Name |
CHEMBL4647416
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| Formula |
C26H30Cl2N4O3
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| Molecular Weight |
517.457
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C26H30Cl2N4O3/c1-4-35-26(34)18-13-29-22-10-9-21(16-11-19(27)25(33)20(28)12-16)31-24(22)23(18)30-17-7-5-15(6-8-17)14-32(2)3/h9-13,15,17,33H,4-8,14H2,1-3H3,(H,29,30)/t15-,17-
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| InChIKey |
KQVNWJXQFRWTDU-JCNLHEQBSA-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