General Information of the Compound
| Compound ID |
CP0579760
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| Compound Name |
CHEMBL5187267
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| Formula |
C25H25ClN6O4
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| Molecular Weight |
508.966
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(OC)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
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| InChI |
InChI=1S/C25H25ClN6O4/c1-28-25-29-10-15-8-18(24(33)32(23(15)31-25)11-22-35-12-16(27)13-36-22)17-7-6-14(9-19(17)26)20-4-3-5-21(30-20)34-2/h3-10,16,22H,11-13,27H2,1-2H3,(H,28,29,31)/t16-,22-
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| InChIKey |
RVDALFWFYZMJSN-CIEDQVTBSA-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