General Information of the Compound
| Compound ID |
CP0570924
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| Compound Name |
(2S,4R)-1-[(2S)-2-[[7-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]indazol-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C50H56FN9O6S
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| Molecular Weight |
930.12
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCC(=O)n2nc(N)c3c(cccc23)-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C50H56FN9O6S/c1-29-14-23-37(51)38(24-29)56-49(66)55-34-21-19-32(20-22-34)36-10-9-11-39-43(36)46(52)58-60(39)42(63)13-8-6-7-12-41(62)57-45(50(3,4)5)48(65)59-27-35(61)25-40(59)47(64)53-26-31-15-17-33(18-16-31)44-30(2)54-28-67-44/h9-11,14-24,28,35,40,45,61H,6-8,12-13,25-27H2,1-5H3,(H2,52,58)(H,53,64)(H,57,62)(H2,55,56,66)/t35-,40+,45-/m1/s1
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| InChIKey |
MLMBGRMBVNUKFH-RIXQQIMYSA-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