General Information of the Compound
| Compound ID |
CP0852170
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| Compound Name |
SID92764793
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| Structure |
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| Formula |
C26H31ClN2O2
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| Molecular Weight |
438.999
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| Canonical SMILES |
CCN(CC)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1.Cl
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| InChI |
InChI=1S/C26H30N2O2.ClH/c1-3-27(4-2)16-15-25(29)28-19-23(17-21-11-7-5-8-12-21)26(30)24(20-28)18-22-13-9-6-10-14-22;/h5-14,17-18H,3-4,15-16,19-20H2,1-2H3;1H/b23-17-,24-18-;
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| InChIKey |
DFOUTCPHUYDKSD-MGDDWPMISA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1
Protein ID: PT06033, Microphthalmia-associated transcription factor