General Information of the Compound
| Compound ID |
CP0494690
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| Compound Name |
tert-butyl (2'S,3S)-1-[3-[3-chloro-4-(hydroxymethyl)phenyl]phenyl]-2-oxo-2'-propan-2-ylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
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| Formula |
C32H35ClN2O4
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| Molecular Weight |
547.095
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| Canonical SMILES |
CC(C)[C@@H]1N(CC[C@@]11C(=O)N(c2ccccc12)c1cccc(c1)-c1ccc(CO)c(Cl)c1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C32H35ClN2O4/c1-20(2)28-32(15-16-34(28)30(38)39-31(3,4)5)25-11-6-7-12-27(25)35(29(32)37)24-10-8-9-21(17-24)22-13-14-23(19-36)26(33)18-22/h6-14,17-18,20,28,36H,15-16,19H2,1-5H3/t28-,32-/m0/s1
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| InChIKey |
IQSOORUBJUWRBN-IUDBTDONSA-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