General Information of the Compound
| Compound ID |
CP0446490
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| Compound Name |
(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-(2-bicyclo[2.2.1]heptanyl)-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]propanamide
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| Structure |
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| Formula |
C37H48N6O5
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| Molecular Weight |
656.828
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CC2CCC1C2)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C37H48N6O5/c1-23(2)16-29(33(44)37(3)22-48-37)39-34(45)30(19-24-10-6-4-7-11-24)40-35(46)31(21-28-18-26-14-15-27(28)17-26)41-36(47)32(42-43-38)20-25-12-8-5-9-13-25/h4-13,23,26-32H,14-22H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t26?,27?,28?,29-,30-,31-,32-,37+/m0/s1
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| InChIKey |
DBHSDDXPCJTVTM-ULZPBXQNSA-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