General Information of the Compound
| Compound ID |
CP0912950
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| Compound Name |
SID85805294
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| Structure |
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| Formula |
C29H32Cl3N3O5S
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| Molecular Weight |
641.017
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O
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| InChI |
InChI=1S/C29H32Cl3N3O5S/c1-18-14-35(19(2)17-36)29(37)23-5-4-6-26(33-41(38,39)22-10-8-21(30)9-11-22)28(23)40-27(18)16-34(3)15-20-7-12-24(31)25(32)13-20/h4-13,18-19,27,33,36H,14-17H2,1-3H3/t18-,19+,27-/m0/s1
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| InChIKey |
URXZZUBQVMOKIH-CUMRGQLISA-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