General Information of the Compound
| Compound ID |
CP0427454
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-((diethylamino)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(diisopropylamino)ethyl)urea
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| Structure |
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| Formula |
C33H48ClFN4O
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| Molecular Weight |
571.225
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| Canonical SMILES |
CCN(CC)Cc1cccc(c1)[C@@]12CC1C[C@@H](CC2)N(CCN(C(C)C)C(C)C)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C33H48ClFN4O/c1-7-37(8-2)22-25-10-9-11-26(18-25)33-15-14-29(19-27(33)21-33)39(17-16-38(23(3)4)24(5)6)32(40)36-28-12-13-31(35)30(34)20-28/h9-13,18,20,23-24,27,29H,7-8,14-17,19,21-22H2,1-6H3,(H,36,40)/t27?,29-,33-/m1/s1
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| InChIKey |
RYKUCGZOIHVSPY-JNEWTYKWSA-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