General Information of the Compound
| Compound ID |
CP0567917
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| Compound Name |
(5R,8S,11S,14S,17S,20R)-20-[(2-aminoacetyl)amino]-11-(3-amino-3-oxopropyl)-14-[3-(diaminomethylideneamino)propyl]-17-[(1R)-1-hydroxyethyl]-7,10,13,16,19-pentaoxo-8-propan-2-yl-3,22-dithia-6,9,12,15,18,28-hexazabicyclo[22.3.1]octacosa-1(27),24(28),25-triene-5-carboxylic acid
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| Structure |
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| Formula |
C35H56N12O10S2
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| Molecular Weight |
869.041
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| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(O)=O)n2)NC(=O)CN)[C@@H](C)O
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| InChI |
InChI=1S/C35H56N12O10S2/c1-17(2)27-32(54)45-24(34(56)57)16-59-14-20-7-4-6-19(41-20)13-58-15-23(42-26(50)12-36)31(53)47-28(18(3)48)33(55)44-21(8-5-11-40-35(38)39)29(51)43-22(30(52)46-27)9-10-25(37)49/h4,6-7,17-18,21-24,27-28,48H,5,8-16,36H2,1-3H3,(H2,37,49)(H,42,50)(H,43,51)(H,44,55)(H,45,54)(H,46,52)(H,47,53)(H,56,57)(H4,38,39,40)/t18-,21+,22+,23+,24+,27+,28+/m1/s1
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| InChIKey |
FMAIHBFXTGTIIF-LCTUNNTLSA-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