General Information of the Compound
| Compound ID |
CP0546575
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| Compound Name |
(2S)-2-[[[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-(2-methylpropyl)carbamoyl]amino]-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C27H33N7O3
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| Molecular Weight |
503.607
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| Canonical SMILES |
CC(C)CN(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C27H33N7O3/c1-16(2)15-34(33-26(36)21(28)11-17-13-30-22-9-5-3-7-19(17)22)27(37)32-24(25(29)35)12-18-14-31-23-10-6-4-8-20(18)23/h3-10,13-14,16,21,24,30-31H,11-12,15,28H2,1-2H3,(H2,29,35)(H,32,37)(H,33,36)/t21-,24+/m1/s1
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| InChIKey |
BNZPCYOWIGDGEC-QPPBQGQZSA-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