General Information of the Compound
| Compound ID |
CP0508516
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| Compound Name |
N-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]-4-methoxybenzamide
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| Structure |
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| Formula |
C32H33ClN2O6
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| Molecular Weight |
577.077
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| Canonical SMILES |
COc1ccc(cc1)C(=O)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/C32H33ClN2O6/c1-40-23-13-11-21(12-14-23)31(39)34-16-26-28(36)29(37)30(38)32(41-26)35-17-22(27-24(33)3-2-4-25(27)35)15-18-5-7-19(8-6-18)20-9-10-20/h2-8,11-14,17,20,26,28-30,32,36-38H,9-10,15-16H2,1H3,(H,34,39)/t26-,28-,29+,30-,32-/m1/s1
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| InChIKey |
ZBRZAXAJGAKPNP-RRFVWWEKSA-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