General Information of the Compound
| Compound ID |
CP0926614
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| Compound Name |
SID144194095
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| Formula |
C22H21N3O
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| Molecular Weight |
343.43
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| Canonical SMILES |
N#Cc1cccc(-c2ccc([C@@H]3[C@@H]4CN(C(=O)C5CC5)C[C@H]3N4)cc2)c1
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| InChI |
InChI=1S/C22H21N3O/c23-11-14-2-1-3-18(10-14)15-4-6-16(7-5-15)21-19-12-25(13-20(21)24-19)22(26)17-8-9-17/h1-7,10,17,19-21,24H,8-9,12-13H2/t19-,20+,21+
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| InChIKey |
PPTUHUCOXMTHSM-AERCQKQUSA-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