General Information of the Compound
| Compound ID |
CP0483923
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| Compound Name |
US9428456, 1.015
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| Structure |
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| Formula |
C31H37N3O2
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| Molecular Weight |
483.656
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| Canonical SMILES |
O=C(Cc1ccc2ccccc2c1)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C31H37N3O2/c35-30(21-23-13-14-25-8-4-5-9-27(25)19-23)32-29-12-6-7-24(20-29)22-34-17-15-26(16-18-34)31(36)33-28-10-2-1-3-11-28/h4-9,12-14,19-20,26,28H,1-3,10-11,15-18,21-22H2,(H,32,35)(H,33,36)
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| InChIKey |
FFVVZSAIWODHQH-UHFFFAOYSA-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