General Information of the Compound
| Compound ID |
CP0112074
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| Compound Name |
ethyl N-[(1S)-1-[[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-(1H-indol-3-yl)ethyl]carbamate
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| Structure |
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| Formula |
C28H34N6O4
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| Molecular Weight |
518.618
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| Canonical SMILES |
CCOC(=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/C28H34N6O4/c1-4-38-27(37)34-24(14-18-16-31-22-12-8-6-10-20(18)22)33-25(35)23(32-26(36)28(2,3)29)13-17-15-30-21-11-7-5-9-19(17)21/h5-12,15-16,23-24,30-31H,4,13-14,29H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)/t23-,24+/m1/s1
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| InChIKey |
HHNFGHMUUCYEFJ-RPWUZVMVSA-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