General Information of the Compound
| Compound ID |
CP0262053
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| Compound Name |
((2R,4S)-4-(4-chloro-3-methylphenoxy)pyrrolidin-2-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
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| Structure |
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| Formula |
C21H30ClN3O2
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| Molecular Weight |
391.943
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| Canonical SMILES |
Cc1cc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)ccc1Cl
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| InChI |
InChI=1S/C21H30ClN3O2/c1-15-12-17(6-7-19(15)22)27-18-13-20(23-14-18)21(26)25-9-3-8-24(10-11-25)16-4-2-5-16/h6-7,12,16,18,20,23H,2-5,8-11,13-14H2,1H3/t18-,20+/m0/s1
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| InChIKey |
ZMQPHPIWFPHKFO-AZUAARDMSA-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