General Information of the Compound
| Compound ID |
CP0375926
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| Compound Name |
CHEMBL2414656
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| Formula |
C27H35N5O4
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| Molecular Weight |
493.608
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| Canonical SMILES |
COC1CCN(CC1)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
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| InChI |
InChI=1S/C27H35N5O4/c1-35-22-10-12-31(13-11-22)23(33)16-18-2-4-19(5-3-18)20-6-8-21(9-7-20)32-14-15-36-26-24(27(32)34)25(28)29-17-30-26/h6-9,17-19,22H,2-5,10-16H2,1H3,(H2,28,29,30)/t18-,19-
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| InChIKey |
RGCDPRBKAGDUSI-WGSAOQKQSA-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