General Information of the Compound
| Compound ID |
CP0427190
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| Compound Name |
3-(3-cyanophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(diisopropylamino)ethyl)urea
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| Structure |
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| Formula |
C30H37N5O
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| Molecular Weight |
483.66
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| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(c1)C#N)C(C)C
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| InChI |
InChI=1S/C30H37N5O/c1-21(2)34(22(3)4)13-14-35(29(36)33-27-10-6-8-24(16-27)20-32)28-11-12-30(18-26(30)17-28)25-9-5-7-23(15-25)19-31/h5-10,15-16,21-22,26,28H,11-14,17-18H2,1-4H3,(H,33,36)/t26?,28-,30-/m1/s1
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| InChIKey |
DYTCESYXROQVGF-ITZYSEINSA-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