General Information of the Compound
| Compound ID |
CP0414604
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| Compound Name |
CHEMBL4641470
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| Formula |
C24H24Cl2N4O4
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| Molecular Weight |
503.386
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(N)=O)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C24H24Cl2N4O4/c1-2-34-24(33)15-11-28-19-8-7-18(13-9-16(25)22(31)17(26)10-13)30-21(19)20(15)29-14-5-3-12(4-6-14)23(27)32/h7-12,14,31H,2-6H2,1H3,(H2,27,32)(H,28,29)/t12-,14-
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| InChIKey |
NVSUSPDAMQHMQL-MQMHXKEQSA-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