General Information of the Compound
| Compound ID |
CP0904613
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| Compound Name |
SID22409685
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| Structure |
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| Formula |
C27H33N5O5S
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| Molecular Weight |
539.658
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| Canonical SMILES |
CCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(N)n(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C27H33N5O5S/c1-4-31-26(34)24(25(28)32(27(31)35)17-21-8-6-5-7-9-21)22(33)18-29-12-14-30(15-13-29)38(36,37)23-16-19(2)10-11-20(23)3/h5-11,16H,4,12-15,17-18,28H2,1-3H3
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| InChIKey |
GRMVBQHMQJJCSH-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