General Information of the Compound
| Compound ID |
CP0469704
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| Compound Name |
CHEMBL4483577
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| Formula |
C27H41N5O4S
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| Molecular Weight |
531.723
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| Canonical SMILES |
CC[C@H]1CC[C@@H](CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2c(C)cc(cc2C)N(C)C(N)=O)C(=O)N1
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| InChI |
InChI=1S/C27H41N5O4S/c1-5-20-6-8-21(9-7-20)24-29-25(33)27(30-24)11-13-32(14-12-27)37(35,36)15-10-23-18(2)16-22(17-19(23)3)31(4)26(28)34/h16-17,20-21H,5-15H2,1-4H3,(H2,28,34)(H,29,30,33)/t20-,21-
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| InChIKey |
NVVODIMTCYSOKK-MEMLXQNLSA-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