General Information of the Compound
| Compound ID |
CP0379069
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(diisopropylamino)ethyl)-3-(3-nitrophenyl)urea
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| Structure |
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| Formula |
C29H37N5O3
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| Molecular Weight |
503.647
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| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(c1)[N+]([O-])=O)C(C)C
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| InChI |
InChI=1S/C29H37N5O3/c1-20(2)32(21(3)4)13-14-33(28(35)31-25-9-6-10-27(17-25)34(36)37)26-11-12-29(18-24(29)16-26)23-8-5-7-22(15-23)19-30/h5-10,15,17,20-21,24,26H,11-14,16,18H2,1-4H3,(H,31,35)/t24?,26-,29-/m1/s1
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| InChIKey |
IUOYHGLIKWPUSP-SMXXFVJNSA-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