General Information of the Compound
| Compound ID |
CP0235411
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| Compound Name |
N-[(1R)-1-[[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C31H39N7O3
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| Molecular Weight |
557.699
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1
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| InChI |
InChI=1S/C31H39N7O3/c1-31(2,32)30(41)36-26(15-19-17-34-23-11-5-3-9-21(19)23)29(40)38-27(37-28(39)25-13-7-8-14-33-25)16-20-18-35-24-12-6-4-10-22(20)24/h3-6,9-12,17-18,25-27,33-35H,7-8,13-16,32H2,1-2H3,(H,36,41)(H,37,39)(H,38,40)/t25?,26-,27-/m1/s1
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| InChIKey |
GXIDPNDXYSCSAI-NODVFIEMSA-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