General Information of the Compound
| Compound ID |
CP0653375
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| Compound Name |
SID24829938
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| Structure |
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| Formula |
C26H36Cl2N2O2
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| Molecular Weight |
479.492
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| Canonical SMILES |
CC1CCC(C(C)C)C(OC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)C1.[Cl-]
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| InChI |
InChI=1S/C26H36ClN2O2.ClH/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29;/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
OYMCMTBEXDWEKC-UHFFFAOYSA-M
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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: PT06033, Microphthalmia-associated transcription factor