General Information of the Compound
| Compound ID |
CP0430820
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| Compound Name |
CHEMBL559050
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| Formula |
C29H45N5O4S
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| Molecular Weight |
559.777
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN(C)CCCN(C)S(C)(=O)=O)c1=O
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| InChI |
InChI=1S/C29H45N5O4S/c1-21(2)34-27-11-7-6-10-22(27)18-26(29(34)36)28(35)30-23-19-24-12-13-25(20-23)33(24)17-9-15-31(3)14-8-16-32(4)39(5,37)38/h6-7,10-11,18,21,23-25H,8-9,12-17,19-20H2,1-5H3,(H,30,35)/t23-,24+,25-
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| InChIKey |
GSEYLMTUUMJITR-QEIWAGNOSA-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