General Information of the Compound
| Compound ID |
CP0864971
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| Compound Name |
2-(3,4-Dichlorophenyl)-1-{(4aRS,8SR,8aSR)-4-[(1H-imidazol-5-yl)methyl]-8-[(3SR)-3-hydroxypyrrolidin-1-yl]perhydroquinoxalin-1-yl}ethan-1-one
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| Structure |
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| Formula |
C24H31Cl2N5O2
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| Molecular Weight |
492.451
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| Canonical SMILES |
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)C2CCCC(N3CCC(O)C3)C21
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| InChI |
InChI=1S/C24H31Cl2N5O2/c25-19-5-4-16(10-20(19)26)11-23(33)31-9-8-30(13-17-12-27-15-28-17)22-3-1-2-21(24(22)31)29-7-6-18(32)14-29/h4-5,10,12,15,18,21-22,24,32H,1-3,6-9,11,13-14H2,(H,27,28)
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| InChIKey |
RIBPNVGFVDGCPR-UHFFFAOYSA-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