General Information of the Compound
| Compound ID |
CP0462438
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| Compound Name |
CHEMBL255535
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| Formula |
C28H41N5O
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| Molecular Weight |
463.67
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(C(=O)C1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C28H41N5O/c1-20(2)27-30-29-21(3)33(27)26-18-24-14-15-25(19-26)31(24)16-17-32(23-12-8-5-9-13-23)28(34)22-10-6-4-7-11-22/h5,8-9,12-13,20,22,24-26H,4,6-7,10-11,14-19H2,1-3H3/t24-,25+,26+
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| InChIKey |
HQDJEQYXYOVVSB-GPOLMCQNSA-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