General Information of the Compound
| Compound ID |
CP0316950
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| Compound Name |
N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1
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| InChI |
InChI=1S/C28H32N6O3/c35-17-32-26(14-20-16-31-24-8-4-2-6-22(20)24)34-28(37)25(33-27(36)18-9-11-29-12-10-18)13-19-15-30-23-7-3-1-5-21(19)23/h1-8,15-18,25-26,29-31H,9-14H2,(H,32,35)(H,33,36)(H,34,37)/t25-,26-/m1/s1
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| InChIKey |
RECAIIPHQYWZHM-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