General Information of the Compound
| Compound ID |
CP0884468
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| Compound Name |
SID93576585
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
CN1CCC[C@H]1CCNc1ccc2c(=O)c3ccccc3n(C)c2c1
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| InChI |
InChI=1S/C21H25N3O/c1-23-13-5-6-16(23)11-12-22-15-9-10-18-20(14-15)24(2)19-8-4-3-7-17(19)21(18)25/h3-4,7-10,14,16,22H,5-6,11-13H2,1-2H3/t16-/m0/s1
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| InChIKey |
MSMDSWOGMJPGMK-INIZCTEOSA-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