General Information of the Compound
| Compound ID |
CP0434831
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| Compound Name |
CHEMBL3763953
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| Formula |
C21H23N3O5
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| Molecular Weight |
397.431
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| Canonical SMILES |
COC(=O)c1c(N2CCCCC2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
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| InChI |
InChI=1S/C21H23N3O5/c1-23(2)12-7-8-13-14(11-12)29-20-16(22-13)15(21(27)28-3)17(18(25)19(20)26)24-9-5-4-6-10-24/h7-8,11,26H,4-6,9-10H2,1-3H3
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| InChIKey |
KFSCTBSLLZLSNB-UHFFFAOYSA-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