General Information of the Compound
| Compound ID |
CP0918114
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| Compound Name |
SID131412603
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| Structure |
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| Formula |
C33H45N3O8S3
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| Molecular Weight |
707.937
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)OCCCC[C@H](C)O3)cc1
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| InChI |
InChI=1S/C33H45N3O8S3/c1-23-11-14-28(15-12-23)46(39,40)34-27-13-16-30-29(19-27)33(38)36(25(3)22-37)20-24(2)31(43-17-7-6-9-26(4)44-30)21-35(5)47(41,42)32-10-8-18-45-32/h8,10-16,18-19,24-26,31,34,37H,6-7,9,17,20-22H2,1-5H3/t24-,25+,26-,31+/m0/s1
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| InChIKey |
GWNYCBOFPRGHHP-GURVGDRESA-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