General Information of the Compound
| Compound ID |
CP0409077
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| Compound Name |
(2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]-N-[(1-phenylcyclopropyl)methyl]propanamide
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| Structure |
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| Formula |
C29H30N4O3
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| Molecular Weight |
482.584
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C29H30N4O3/c1-36-23-13-11-22(12-14-23)32-28(35)33-26(17-20-18-30-25-10-6-5-9-24(20)25)27(34)31-19-29(15-16-29)21-7-3-2-4-8-21/h2-14,18,26,30H,15-17,19H2,1H3,(H,31,34)(H2,32,33,35)/t26-/m1/s1
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| InChIKey |
HENRNMCHZQKIBC-AREMUKBSSA-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