General Information of the Compound
| Compound ID |
CP0048863
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| Compound Name |
16-(Pyrimidin-5-ylmethylidene)-17beta-hydroxy-4-methyl-4-aza-5alpha-androst-1-en-3-one
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O
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| InChI |
InChI=1S/C24H31N3O2/c1-23-9-7-21(28)27(3)20(23)5-4-17-18(23)6-8-24(2)19(17)11-16(22(24)29)10-15-12-25-14-26-13-15/h7,9-10,12-14,17-20,22,29H,4-6,8,11H2,1-3H3/b16-10+/t17-,18+,19+,20-,22+,23-,24+/m1/s1
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| InChIKey |
GJFAJAHCWGSYHL-GYXROJBQSA-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