skf-110679 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

873.0136

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: C[C@H](NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC3=CN=CN3)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCCN)C(N)=O
  • InChIKey: WZHKXNSOCOQYQX-FUAFALNISA-N
    1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38+,39+,40-/m0/s1
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

4H7N4I6X6A   NCATS
skf-110679 *

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