General Information of the Compound
| Compound ID |
CP0112161
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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]-2-methyl-2-(methylamino)propanamide
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| Structure |
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| Formula |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
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| InChI |
InChI=1S/C27H32N6O3/c1-27(2,28-3)26(36)32-23(12-17-14-29-21-10-6-4-8-19(17)21)25(35)33-24(31-16-34)13-18-15-30-22-11-7-5-9-20(18)22/h4-11,14-16,23-24,28-30H,12-13H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-/m1/s1
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| InChIKey |
LNYVZJNHZCVPOB-DNQXCXABSA-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