General Information of the Compound
| Compound ID |
CP0293961
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| Compound Name |
16-{[(Pyridin-2-yl)pyrimidin-5-yl]methylidene}-17beta-hydroxy-4-methyl-4-aza-5alpha-androst-1-en-3-one
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| Structure |
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| Formula |
C29H34N4O2
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| Molecular Weight |
470.617
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| Canonical SMILES |
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(nc5)-c5ccccn5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O
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| InChI |
InChI=1S/C29H34N4O2/c1-28-12-10-25(34)33(3)24(28)8-7-20-21(28)9-11-29(2)22(20)15-19(26(29)35)14-18-16-31-27(32-17-18)23-6-4-5-13-30-23/h4-6,10,12-14,16-17,20-22,24,26,35H,7-9,11,15H2,1-3H3/b19-14+/t20-,21+,22+,24-,26+,28-,29+/m1/s1
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| InChIKey |
HZQDSHRIMNNMCZ-UYFXKNMZSA-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