General Information of the Compound
| Compound ID |
CP0873266
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| Compound Name |
3-(4-chloro-2-hydroxy-3-(4-(piperidin-1-yl)piperidin-1-ylsulfonyl)phenylamino)-4-(phenylamino)cyclobut-3-ene-1,2-dione hydrochloride
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| Structure |
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| Formula |
C26H30Cl2N4O5S
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| Molecular Weight |
581.522
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| Canonical SMILES |
Cl.O=c1c(Nc2ccccc2)c(Nc2ccc(Cl)c(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c2O)c1=O
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| InChI |
InChI=1S/C26H29ClN4O5S.ClH/c27-19-9-10-20(29-22-21(24(33)25(22)34)28-17-7-3-1-4-8-17)23(32)26(19)37(35,36)31-15-11-18(12-16-31)30-13-5-2-6-14-30;/h1,3-4,7-10,18,28-29,32H,2,5-6,11-16H2;1H
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| InChIKey |
SXRDGUMWNLYXMZ-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