General Information of the Compound
| Compound ID |
CP0445101
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
O=C(Nc1ccc2OCOc2c1)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
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| InChI |
InChI=1S/C23H22N4O3/c28-23(25-18-9-10-20-21(14-18)30-15-29-20)24-17-6-3-5-16(13-17)19-7-4-8-22(26-19)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,15H2,(H2,24,25,28)
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| InChIKey |
GTWJSXNAWWCMLN-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