General Information of the Compound
| Compound ID |
CP0472552
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| Compound Name |
N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]-3-chloro-4-methoxybenzenesulfonamide
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| Formula |
C24H31Cl2N3O5S
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| Molecular Weight |
544.501
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| Canonical SMILES |
COc1ccc(cc1Cl)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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| InChI |
InChI=1S/C24H31Cl2N3O5S/c1-33-23-6-4-17(13-20(23)26)35(31,32)28-9-12-29-10-7-16(8-11-29)3-5-22(30)18-14-19(25)21(27)15-24(18)34-2/h4,6,13-16,28H,3,5,7-12,27H2,1-2H3
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| InChIKey |
ZXTBWLUYFYTIDX-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