General Information of the Compound
| Compound ID |
CP0391214
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| Compound Name |
CHEMBL4639441
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| Formula |
C28H30Cl2N4O5
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| Molecular Weight |
573.477
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(=O)N1CCOCC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C28H30Cl2N4O5/c1-2-39-28(37)19-15-31-23-8-7-22(17-13-20(29)26(35)21(30)14-17)33-25(23)24(19)32-18-5-3-16(4-6-18)27(36)34-9-11-38-12-10-34/h7-8,13-16,18,35H,2-6,9-12H2,1H3,(H,31,32)/t16-,18-
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| InChIKey |
KWXOYZWLOJJEFD-SAABIXHNSA-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