General Information of the Compound
| Compound ID |
CP0914548
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| Compound Name |
SID92764800
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| Structure |
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| Formula |
C24H25ClN4O5
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| Molecular Weight |
484.94
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| Canonical SMILES |
CCC1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1.Cl
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| InChI |
InChI=1S/C24H24N4O5.ClH/c1-4-24(33-20(29)11-27(2)3)16-9-19-21-13(8-14-17(25)6-5-7-18(14)26-21)10-28(19)22(30)15(16)12-32-23(24)31;/h5-9H,4,10-12,25H2,1-3H3;1H
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| InChIKey |
VCFQXXKUPMCLFP-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3