General Information of the Compound
| Compound ID |
CP0439285
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| Compound Name |
CHEMBL555223
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| Formula |
C30H45N5O4S
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| Molecular Weight |
571.788
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN2CCC(CNS(C)(=O)=O)CC2)c1=O
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| InChI |
InChI=1S/C30H45N5O4S/c1-21(2)35-28-8-5-4-7-23(28)17-27(30(35)37)29(36)32-24-18-25-9-10-26(19-24)34(25)14-6-13-33-15-11-22(12-16-33)20-31-40(3,38)39/h4-5,7-8,17,21-22,24-26,31H,6,9-16,18-20H2,1-3H3,(H,32,36)/t24-,25+,26-
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| InChIKey |
VFYJTXFWAIHDFH-OOSCYNTBSA-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