General Information of the Compound
| Compound ID |
CP0485021
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| Compound Name |
1-{(S)-1-[2-(4-Dimethylamino-phenyl)-ethyl]-piperidin-3-ylmethyl}-3-[3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C27H38N8O
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| Molecular Weight |
490.656
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| Canonical SMILES |
CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(cc3)N(C)C)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H38N8O/c1-5-20-15-23(26-30-31-32-34(26)4)17-24(16-20)29-27(36)28-18-22-7-6-13-35(19-22)14-12-21-8-10-25(11-9-21)33(2)3/h8-11,15-17,22H,5-7,12-14,18-19H2,1-4H3,(H2,28,29,36)/t22-/m0/s1
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| InChIKey |
SCAGRDWJBYEKCY-QFIPXVFZSA-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