General Information of the Compound
| Compound ID |
CP0272419
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| Compound Name |
N-[(2R)-3-(1H-indol-3-yl)-1-[[(1R)-2-(1H-indol-3-yl)-1-(propanoylamino)ethyl]amino]-1-oxopropan-2-yl]-2-methyl-2-(methylamino)propanamide
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| Structure |
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| Formula |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC
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| InChI |
InChI=1S/C29H36N6O3/c1-5-26(36)34-25(15-19-17-32-23-13-9-7-11-21(19)23)35-27(37)24(33-28(38)29(2,3)30-4)14-18-16-31-22-12-8-6-10-20(18)22/h6-13,16-17,24-25,30-32H,5,14-15H2,1-4H3,(H,33,38)(H,34,36)(H,35,37)/t24-,25-/m1/s1
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| InChIKey |
LGZCTGHFNMARJF-JWQCQUIFSA-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