General Information of the Compound
| Compound ID |
CP0378818
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| Compound Name |
4-Amino-piperidine-4-carboxylic acid [1-[(R)-(R)-1-acetylamino-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C29H35N7O3
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| Molecular Weight |
529.645
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCNCC1
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| InChI |
InChI=1S/C29H35N7O3/c1-18(37)34-26(15-20-17-33-24-9-5-3-7-22(20)24)36-27(38)25(35-28(39)29(30)10-12-31-13-11-29)14-19-16-32-23-8-4-2-6-21(19)23/h2-9,16-17,25-26,31-33H,10-15,30H2,1H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26-/m1/s1
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| InChIKey |
BGIJOXWSDSYECN-CLJLJLNGSA-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