General Information of the Compound
| Compound ID |
CP0493256
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| Compound Name |
5-chloro-3-(2-(4-(3-methoxyphenylsulfonyl)-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 |
C25H29ClN4O6S
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| Molecular Weight |
549.049
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C25H29ClN4O6S/c1-35-20-5-4-6-21(14-20)37(33,34)28-11-12-29(19(16-28)15-27-9-2-3-10-27)24(31)17-30-22-13-18(26)7-8-23(22)36-25(30)32/h4-8,13-14,19H,2-3,9-12,15-17H2,1H3
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| InChIKey |
NNCHHNWYFLIOOY-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