General Information of the Compound
| Compound ID |
CP0475164
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(3,5-difluorophenyl)-1-(2-(diisopropylamino)ethyl)urea
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| Structure |
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| Formula |
C29H36F2N4O
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| Molecular Weight |
494.63
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| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(F)cc(F)c1)C(C)C
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| InChI |
InChI=1S/C29H36F2N4O/c1-19(2)34(20(3)4)10-11-35(28(36)33-26-15-24(30)14-25(31)16-26)27-8-9-29(17-23(29)13-27)22-7-5-6-21(12-22)18-32/h5-7,12,14-16,19-20,23,27H,8-11,13,17H2,1-4H3,(H,33,36)/t23?,27-,29-/m1/s1
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| InChIKey |
JKOOPSADPKSMQR-AVDMRMMTSA-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