General Information of the Compound
| Compound ID |
CP0518677
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| Compound Name |
US9428456, 1.054
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| Structure |
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| Formula |
C31H42N4O2
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| Molecular Weight |
502.703
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| Canonical SMILES |
Cc1cc(cc(n1)C1CCCC1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C31H42N4O2/c1-22-18-26(20-29(32-22)24-9-5-6-10-24)31(37)34-28-13-7-8-23(19-28)21-35-16-14-25(15-17-35)30(36)33-27-11-3-2-4-12-27/h7-8,13,18-20,24-25,27H,2-6,9-12,14-17,21H2,1H3,(H,33,36)(H,34,37)
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| InChIKey |
UPCAZVVGTGEEAI-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