General Information of the Compound
| Compound ID |
CP0427254
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(2,6-dichloropyridin-4-yl)-1-(2-((2S)-2-(hydroxymethyl)-5-methylpyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C28H33Cl2N5O2
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| Molecular Weight |
542.511
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| Canonical SMILES |
CC1CC[C@@H](CO)N1CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1
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| InChI |
InChI=1S/C28H33Cl2N5O2/c1-18-5-6-24(17-36)34(18)9-10-35(27(37)32-22-13-25(29)33-26(30)14-22)23-7-8-28(15-21(28)12-23)20-4-2-3-19(11-20)16-31/h2-4,11,13-14,18,21,23-24,36H,5-10,12,15,17H2,1H3,(H,32,33,37)/t18?,21?,23-,24+,28-/m1/s1
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| InChIKey |
WINUHWGZINJIJQ-VALNYTORSA-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