General Information of the Compound
| Compound ID |
CP0257897
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| Compound Name |
2-[4-[[2,3-dimethyl-5-[[(1S)-2-phenyl-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C42H40N2O3
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| Molecular Weight |
620.793
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| Canonical SMILES |
CC(C)c1cccc(c1)[C@H](Cc1ccccc1)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1
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| InChI |
InChI=1S/C42H40N2O3/c1-27(2)33-13-10-14-34(24-33)39(23-30-11-6-5-7-12-30)43-41(45)35-21-22-40-38(25-35)28(3)29(4)44(40)26-31-17-19-32(20-18-31)36-15-8-9-16-37(36)42(46)47/h5-22,24-25,27,39H,23,26H2,1-4H3,(H,43,45)(H,46,47)/t39-/m0/s1
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| InChIKey |
QHPCWVZZRZXAAW-KDXMTYKHSA-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