General Information of the Compound
| Compound ID |
CP0310947
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| Compound Name |
2-Amino-N-[1-[(R)-(S)-1-(3-ethyl-ureido)-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-2-methyl-propionamide
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| Structure |
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| Formula |
C28H35N7O3
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| Molecular Weight |
517.634
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| Canonical SMILES |
CCNC(=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/C28H35N7O3/c1-4-30-27(38)35-24(14-18-16-32-22-12-8-6-10-20(18)22)34-25(36)23(33-26(37)28(2,3)29)13-17-15-31-21-11-7-5-9-19(17)21/h5-12,15-16,23-24,31-32H,4,13-14,29H2,1-3H3,(H,33,37)(H,34,36)(H2,30,35,38)/t23-,24+/m1/s1
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| InChIKey |
XJLWNWRUORDXMW-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