General Information of the Compound
| Compound ID |
CP0301198
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| Compound Name |
MLS001077534
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| Structure |
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| Formula |
C22H29N3O3S
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| Molecular Weight |
415.559
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| Canonical SMILES |
Cc1ccnc(NC(=O)C2CCN(CC2)S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
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| InChI |
InChI=1S/C22H29N3O3S/c1-14-6-9-23-20(12-14)24-22(26)19-7-10-25(11-8-19)29(27,28)21-17(4)15(2)13-16(3)18(21)5/h6,9,12-13,19H,7-8,10-11H2,1-5H3,(H,23,24,26)
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| InChIKey |
MZDTXKPSRGVGCR-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: PT06172, Mothers against decapentaplegic homolog 3