General Information of the Compound
| Compound ID |
CP0458902
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| Compound Name |
1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(5-(thiophen-3-yl)pyridin-3-yl)urea
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| Structure |
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| Formula |
C25H32N4OS
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| Molecular Weight |
436.625
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cncc(c1)-c1ccsc1)=CC2
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| InChI |
InChI=1S/C25H32N4OS/c1-25(2)20-4-3-17(23(25)12-20)15-29-8-5-21(6-9-29)27-24(30)28-22-11-19(13-26-14-22)18-7-10-31-16-18/h3,7,10-11,13-14,16,20-21,23H,4-6,8-9,12,15H2,1-2H3,(H2,27,28,30)/t20-,23-/m0/s1
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| InChIKey |
VVANDXIOQZSNSW-REWPJTCUSA-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