General Information of the Compound
| Compound ID |
CP0512918
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| Compound Name |
US9428456, 1.078
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| Structure |
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| Formula |
C25H31ClN4O2
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| Molecular Weight |
455.002
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| Canonical SMILES |
Clc1cccc(n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C25H31ClN4O2/c26-23-11-5-10-22(29-23)25(32)28-21-9-4-6-18(16-21)17-30-14-12-19(13-15-30)24(31)27-20-7-2-1-3-8-20/h4-6,9-11,16,19-20H,1-3,7-8,12-15,17H2,(H,27,31)(H,28,32)
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| InChIKey |
IYRGWJCPKNISCU-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