General Information of the Compound
| Compound ID |
CP0106289
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C29H32N4O3S
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| Molecular Weight |
516.667
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| Canonical SMILES |
Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12
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| InChI |
InChI=1S/C29H32N4O3S/c1-18-3-2-4-22-21(16-32-26(18)22)12-14-30-15-20-7-5-19(6-8-20)11-13-31-17-25(35)23-9-10-24(34)27-28(23)37-29(36)33-27/h2-10,16,25,30-32,34-35H,11-15,17H2,1H3,(H,33,36)/t25-/m0/s1
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| InChIKey |
HRIMLSKWGJERPD-VWLOTQADSA-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