General Information of the Compound
| Compound ID |
CP0490520
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| Compound Name |
5-chloro-3-(2-(4-(2-chloro-5-(trifluoromethyl)phenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one
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| Structure |
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| Formula |
C25H25Cl2F3N4O5S
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| Molecular Weight |
621.465
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C25H25Cl2F3N4O5S/c26-17-4-6-21-20(12-17)34(24(36)39-21)15-23(35)33-10-9-32(14-18(33)13-31-7-1-2-8-31)40(37,38)22-11-16(25(28,29)30)3-5-19(22)27/h3-6,11-12,18H,1-2,7-10,13-15H2
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| InChIKey |
MDDQRAJLMQEBLI-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