General Information of the Compound
| Compound ID |
CP0527231
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| Compound Name |
2-Pyrazoyl-Cha-Ile-NH2
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| Structure |
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| Formula |
C20H31N5O3
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| Molecular Weight |
389.5
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnccn1)C(N)=O
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| InChI |
InChI=1S/C20H31N5O3/c1-3-13(2)17(18(21)26)25-19(27)15(11-14-7-5-4-6-8-14)24-20(28)16-12-22-9-10-23-16/h9-10,12-15,17H,3-8,11H2,1-2H3,(H2,21,26)(H,24,28)(H,25,27)/t13-,15-,17-/m0/s1
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| InChIKey |
ZJCIWZSCCRRADO-QRTARXTBSA-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