General Information of the Compound
| Compound ID |
CP0453606
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| Compound Name |
(2S)-2-[[[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]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 |
C33H40N10O4
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| Molecular Weight |
640.749
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| Canonical SMILES |
CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C33H40N10O4/c1-19(2)17-43(33(47)41-28(30(35)44)11-20-14-37-26-9-5-3-7-23(20)26)42-32(46)29(12-21-15-38-27-10-6-4-8-24(21)27)40-31(45)25(34)13-22-16-36-18-39-22/h3-10,14-16,18-19,25,28-29,37-38H,11-13,17,34H2,1-2H3,(H2,35,44)(H,36,39)(H,40,45)(H,41,47)(H,42,46)/t25-,28-,29+/m0/s1
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| InChIKey |
XWBRNSMEBVFPCQ-OWPQXHQJSA-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