General Information of the Compound
| Compound ID |
CP0052042
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| Compound Name |
1-[4-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
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| Structure |
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| Formula |
C21H27N5O3S
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| Molecular Weight |
429.546
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| Canonical SMILES |
O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCC2(CCNC2)CC1
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| InChI |
InChI=1S/C21H27N5O3S/c27-20(24-15-17-2-1-10-22-14-17)25-18-3-5-19(6-4-18)30(28,29)26-12-8-21(9-13-26)7-11-23-16-21/h1-6,10,14,23H,7-9,11-13,15-16H2,(H2,24,25,27)
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| InChIKey |
RAAFNSWUNDNBPF-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