General Information of the Compound
| Compound ID |
CP0466885
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| Compound Name |
CAS_141923-40-2
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| Structure |
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| Formula |
C34H57N11O8
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| Molecular Weight |
747.899
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O
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| InChI |
InChI=1S/C34H57N11O8/c1-18(2)13-24(31(51)41-22(11-8-12-40-34(38)39)30(50)42-23(28(37)48)16-27(36)47)44-32(52)25(14-19(3)4)45-33(53)26(43-29(49)21(35)17-46)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,46H,8,11-17,35H2,1-4H3,(H2,36,47)(H2,37,48)(H,41,51)(H,42,50)(H,43,49)(H,44,52)(H,45,53)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-/m0/s1
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| InChIKey |
HRYITGOEDRTTLM-FRSCJGFNSA-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