General Information of the Compound
| Compound ID |
CP0400159
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| Compound Name |
(2S)-2-[[2-(5-isoquinolin-5-ylindol-1-yl)acetyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C25H25N3O3
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| Molecular Weight |
415.493
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(ccc12)-c1cccc2cnccc12)C(O)=O
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| InChI |
InChI=1S/C25H25N3O3/c1-16(2)12-22(25(30)31)27-24(29)15-28-11-9-18-13-17(6-7-23(18)28)20-5-3-4-19-14-26-10-8-21(19)20/h3-11,13-14,16,22H,12,15H2,1-2H3,(H,27,29)(H,30,31)/t22-/m0/s1
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| InChIKey |
FWVBWBMKLVJMRP-QFIPXVFZSA-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