General Information of the Compound
| Compound ID |
CP0302498
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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]-2-amino-2-methylpropanamide
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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 |
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C27H32N6O3/c1-16(34)31-24(13-18-15-30-22-11-7-5-9-20(18)22)33-25(35)23(32-26(36)27(2,3)28)12-17-14-29-21-10-6-4-8-19(17)21/h4-11,14-15,23-24,29-30H,12-13,28H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-/m1/s1
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| InChIKey |
UAFIZNWDSZTTHV-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