General Information of the Compound
| Compound ID |
CP0669412
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| Compound Name |
SID17511440
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
COC(=O)N/N=C/c1cn(CCCOc2ccc(C)cc2)c2ccccc12
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| InChI |
InChI=1S/C21H23N3O3/c1-16-8-10-18(11-9-16)27-13-5-12-24-15-17(14-22-23-21(25)26-2)19-6-3-4-7-20(19)24/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,23,25)/b22-14+
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| InChIKey |
QNZUVINATWHYDT-HYARGMPZSA-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