General Information of the Compound
| Compound ID |
CP0258518
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| Compound Name |
N-[(2R)-1-[[(1R)-1-acetamido-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 |
C29H34N6O3
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| Molecular Weight |
514.63
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1
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| InChI |
InChI=1S/C29H34N6O3/c1-18(36)33-27(15-21-17-32-25-9-5-3-7-23(21)25)35-29(38)26(34-28(37)19-10-12-30-13-11-19)14-20-16-31-24-8-4-2-6-22(20)24/h2-9,16-17,19,26-27,30-32H,10-15H2,1H3,(H,33,36)(H,34,37)(H,35,38)/t26-,27-/m1/s1
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| InChIKey |
WNTBTMKJYOUUFC-KAYWLYCHSA-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