General Information of the Compound
| Compound ID |
CP0494671
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| Compound Name |
4-[3-[(2'S,3S)-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-2'-propan-2-ylspiro[indole-3,3'-pyrrolidine]-1-yl]phenyl]-2-methylsulfonylbenzoic acid
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| Formula |
C33H36N2O7S
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| Molecular Weight |
604.725
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| Canonical SMILES |
CC(C)[C@@H]1N(CC[C@@]11C(=O)N(c2ccccc12)c1cccc(c1)-c1ccc(C(O)=O)c(c1)S(C)(=O)=O)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C33H36N2O7S/c1-20(2)28-33(16-17-34(28)31(39)42-32(3,4)5)25-12-7-8-13-26(25)35(30(33)38)23-11-9-10-21(18-23)22-14-15-24(29(36)37)27(19-22)43(6,40)41/h7-15,18-20,28H,16-17H2,1-6H3,(H,36,37)/t28-,33-/m0/s1
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| InChIKey |
JMANSVHLXPEHIF-UVMMSNCQSA-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