General Information of the Compound
| Compound ID |
CP0484288
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| Compound Name |
CHEMBL5082929
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
C1[C@@H](C[C@@H]1c1nnco1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C20H21N5O3/c1-2-4-14(5-3-1)17-11-25(6-7-26-17)18-10-19(22-12-21-18)28-16-8-15(9-16)20-24-23-13-27-20/h1-5,10,12-13,15-17H,6-9,11H2/t15-,16+,17-/m1/s1
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| InChIKey |
HLSOCDOOECDGJP-IXDOHACOSA-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