General Information of the Compound
| Compound ID |
CP0877321
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| Compound Name |
(1S,7S,7aR)-2-(3-chloro-4-cyano-2-methylphenyl)-7-hydroxy-1-methyl-hexahydropyrrolo[1,2-c]imidazol-3-ylidenecyanamide
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| Structure |
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| Formula |
C16H18ClN5O
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| Molecular Weight |
331.807
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| Canonical SMILES |
Cc1c(N2C(NC#N)N3CC[C@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl
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| InChI |
InChI=1S/C16H18ClN5O/c1-9-12(4-3-11(7-18)14(9)17)22-10(2)15-13(23)5-6-21(15)16(22)20-8-19/h3-4,10,13,15-16,20,23H,5-6H2,1-2H3/t10-,13-,15+,16?/m0/s1
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| InChIKey |
NLFMMAXQPRCHGC-JIMMSKEKSA-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
Protein ID: PT01486, Androgen receptor
Protein ID: PT00894, Androgen receptor