General Information of the Compound
| Compound ID |
CP0386074
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| Compound Name |
1-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]-3-ethylthiourea
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| Structure |
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| Formula |
C27H32ClN3O4S
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| Molecular Weight |
530.09
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| Canonical SMILES |
CCNC(=S)NC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C27H32ClN3O4S/c1-2-29-27(36)30-13-21-23(32)24(33)25(34)26(35-21)31-14-18(22-19(28)4-3-5-20(22)31)12-15-6-8-16(9-7-15)17-10-11-17/h3-9,14,17,21,23-26,32-34H,2,10-13H2,1H3,(H2,29,30,36)/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
ITWJEPILVOURMC-XDXGNBCUSA-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